A 2,2'-bithiophene that is 1,3,4-oxadiazole bearing 2,2'-bithiophen-5-yl and 4-methoxybenzyl groups at positions 2 and 5 respectively.


(R)-paliperidone palmitate

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate that is the (R)-enantiomer of paliperidone palmitate.


tunicamycin A1

A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 12-methyltridec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety.


name: 4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester


prosolanapyrone III

A prosolanapyrone that is prosolanapyrone II in which the hydroxy group has been oxidised to afford the corresponding aldehyde.


A guanosine derivative having a carboxymethyl group attached at the N(2)-position.


A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a nonyl group.


A methyladenosine compound with two methyl groups attached to N(6) of the adenine nucleobase.


ISOPROTHIOLANE

A malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. An insecticide and fungicide used to control a range of diseases including Pyricularia oryzae, Helminthosporium sigmoideum and Fusarium nivale.


name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-(3-phenylprop-2-enyl) ester


(S)-DOXAPRAM

The (S)-enantiomer of doxapram.


butalbital

A member of the class of  barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for treatment of pain and headache.


MILITARINONE A

A pyridine alkaloid that is 1,4-dihydroxypyridin-2(1H)-one substituted by a cis-1,4-dihydroxycyclohexyl group at position 5 and a (2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl moiety at position 3. It is isolated from the mycelium of the entomogenous fungus, Paecilomyces militaris and has been found to induce pronounced neurite sprouting.


Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.


nipecotamide

The amide resulting from the formal condensation of nipecotic acid with ammonia.


(R)-fenarimol

A (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol that has R configuration.


A pyrimidone that is uracil which is substituted by a 2-hydroxyethoxymethyl group at position 1 and a benzyl group at position 5.


A pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by ethoxymethyl, isopropyl, and 3,5-dimethylbenzyl groups, respectively.


A piperidinecarboxamide that is TEMPO carrying an acetamido group at position 4.


DIPHEMANIL METHYLSULFATE

The alkene resulting from the formal Wittig olefination of benzophenone and 1,1-dimethyl-4-bromopiperidinium methylsulfate. A quaternary ammonium anticholinergic, it binds muscarinic acetycholine receptors and thereby decreases secretory excretion of stomach acids, saliva and sweat, It is used topically in the treatment of hyperhidorsis (excessive sweating).


A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a butyl group. It is a constituent found in several plant species and some cooked foods.


diaminopyridine

Compounds containing a pyridine skeleton substituted by two amino groups.


A member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which a hydrogen at the 3 pro-S position is replaced by a 3-oxododecanamido group.


dialurate

A barbiturate anion resulting from deprotonation of the carbon bearing the hydroxy group of dialuric acid. Major microspecies at pH 7.3


ropivacaine

The piperidinecarboxamide obtained by the formal condensation of N-propylpipecolic acid and 2,6-dimethylaniline.


ammodendrine

A piperidine alkaloid that is piperidine substituted by a 1-acetyl-1,4,5,6-tetrahydropyridin-3-yl group at position 2 (the 2R-stereoisomer).


timolol

The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.


A pyrimidone that is thymine which is substituted at position 6 by a [(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl group.


Pefurazoate

A racemate comprising equimolar amounts of (R)- and (S)-pefurazoate. Pefurazoate is a seed treatment with preventative and curative activity against ascomycetes, basidiomycetes and deuteromycetes.


bensulfuron

An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an (o-carboxybenzyl)sulfonyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4,6-dimethoxypyrimidin-2-yl group. An acetolactate synthase inhibitor, it is used (particularly as its methyl ester, bensulfuron-methyl) as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice.


VERATRAMINE

A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.


premycofactocin

A member of the class of pyrrolidin-2-ones that is pyrrolidine-2,3-dione which is substituted by two methyl groups at position 4 and by a 4-hydroxybenzyl group at position 5. It is a biologically active redox cofactor used by Mycobacterium smegmatis carveol dehydrogenase in the oxidation of carveol.


(R)-fenpropimorph

A 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which the methyl substituents on the morpholine ring are in a cis relationship to each other and in which the remaining stereocentre has R configuration.


hexadehydroastechrome

An iron(III) hydroxamate that is astechrome in which the 3-methylbut-2-en-1-yl groups have been oxidised to 3-methylbuta-1,3-dien-1-yl groups. First isolated from Aspergillus fumigatus.


A member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a hex-3-en-1-yl group at position 6.


A ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively.


gibepyrone A

A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3 and 6 are replaced by methyl and (2E)-2-buten-2-yl groups, respectively. It is a mycotoxin produced by the rice pathogen Fusarium fujikuroi.


pulcherriminic acid

A pyrazine N-oxide that is pyrazine-1,4-dioxide substituted at positions 2 and 5 by hydroxy groups and at positions 3 and 6 by isobutyl groups. Formed by oxidative aromatisation of cyclo(L-leucyl-L-leucyl).


tirofiban

A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.


cefuroxime

A 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain.


PYRITHIONE

A  pyridinethione that is pyridine-2(1H)-thione in which the hydrogen attached to the nitrogen is replaced by a hydroxy group. It is a Zn(2+) ionophore; the zinc salt is used as an antifungal and antibacterial agent.


A member of the class of  morpholines that is  morpholine substituted by a 3-aminopropyl group a the N atom.


ertapenem

Meropenem in which the one of the two methyl groups attached to the amide nitrogen is replaced by hydrogen while the other is replaced by a 3-carboxyphenyl group. The sodium salt is used for the treatment of moderate to severe susceptible infections including intra-abdominal  and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract.


EPOXOMYCIN

A tripeptide consisting of an Ile-Ile-Thr-NH2 sequence N-substituted on the threonamide amidic nitrogen with a (2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl group and with acetyl and methyl groups on the nitrogen of the isoleucine residue distal to the threonamide; a naturally occurring selective proteasome inhibitor with anti-inflammatory activity.


A hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos.


CRYPTOCARYOL E

A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a hydroxy group at position 5 and a 2,4,6,8-tetrahydroxytricosyl group at position 6. It has been isolated from Cryptocarya species.


cyclizine

An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.


PYRIDINE-2,5-DICARBOXYLIC ACID

A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 5.


An N-substituted diamine that is ethylenediamine in which the four amino hydrogens are replaced by 2-pyridylmethyl groups.


5-aminonicotinic acid

An aminonicotinic acid in which the amino group is situated at position 5 of the pyridine ring.


A member of the class of  thioureas that is 3,4-dihydropyrimidine-2(1H)-thione substituted by a 3-methoxyphenyl group at position 4, a methyl group at position 6 and a ethoxycarbonyl group at position 5.


A  lignan isolated from the stems of Sinocalamus affinis.


vinylaziridines

Vinylaziridine and its substitution derivatives.


A pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 3-hydroxypropyl group.


An acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 2-oxoundec-10-en-1-yl group.


A carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 1-pro-S, 3-pro-S, and 4-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively.


sufentanil

An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.


name: 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester


fasudil

An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.


An aminopyrimidine compound having its amino group at position 2 and chloro and methyl substituents at positions 4 and 6 respectively.


3-hydroxypyridine sulfate

A member of the class of pyridines that is 3-hydroxypyridine in which the hydroxy hydrogen has been replaced by a sulfo group.


dioxazine

Any six-membered organic heteromonocyclic compound that contains one nitrogen and two oxygen atoms.


RAVENIC ACID

A member of the class of pyrrolidin-2-ones that is pyrrolidine-2,4-dione substituted at position 3 by a deca-2,4,6,8-tetraen-1-ylidene group which in turn is substituted by a hydroxy and methyl substituents at positions 1 and 4 respectively. It is an antibiotic isolated from Penicillium sp.


A vinylaziridine that consists of aziridine having a single vinyl group located at position 1.


A purine 3'-deoxyribonucleoside that is inosine in which the hydroxy group at position 3' is replaced by a hydrogen.


compactin diol lactone

A carbobicyclic compound that is ML-236C substituted by a hydroxy group at position 8S. It is a fungal metabolite isolated from Penicillium citrinum and exhibits anticholesteremic activity.


pyrimidine nucleobase

A nucleobase whose skeleton is derived from pyrimidine.


(R)-nipecotamide

The (3R)-enantiomer of nipecotamide.


name: 5-[[[2-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester


An aminopyrimidine that is N-cyclohexyl-N-methylpyrimidin-2-amine in which the pyrimidine ring is substituted at position 4 by an imidazo[1,2-a]pyridin-3-yl group. It is an inhibitor of interleukin-1 receptor-associated kinase 4 (IRAK-4; EC 2.7.11.1).


NIGERAPYRONE E

A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-oxobut-1-en-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.


pyrimidine-2,4-dicarbothioic O-acid

A member of the class of pyrimidines that is pyrimidine which is substituted by hydroxycarbonothioyl groups at positions 2 and 4.


rivaroxaban

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery.


name: 4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester


A member of the class of quinolines that is 2-methoixyquinoline carrying additional 4-chlorobenzyl and (4-carboxamidinopiperidin-1-yl)methyl substituents at positions 3 and 6 respectively.


diazoline

A five-membered organic heteromonocyclic compound containing two nitrogen atoms and a double bond.


An aldehyde that is furan substituted by a formyl group at position 3.


nectriapyrone  D

A member of the class of nectriapyrones that is nectriapyrone that carries a hydroxy group at position 4. It is a fungal metabolite isolated from Diaporthe gulyae.


An aromatic amide obtained by formal condensation of the carboxy group of 2-furoic acid with the aromatic amino group of 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.


fumigermin

A member of the class of nectriapyrones that is 2H-pyran-2-one which is substituted at positions 3, 4, 5 and 6 by methyl, hydroxy, methyl and but-2-en-2-yl groups, respectively. It is a secondary metabolite produced by Aspergillus fumigatus and inhibits germination of spores of the inducing Streptomyces rapamycinicus.


S-adenosylmethioninamine

The S-adenosyl derivative of methioninamine. It acts as the aminopropyl donor in the biosynthesis of the polyamines, spermidine and spermine.


A  monocarboxylic acid amide obtained by formal condensation between N-butyl-L-cysteinamide and (2Z)-2-(2-furyl)-2-(methoxyimino)acetic acid.


A furan carrying acetyl and methyl substituents at the 2- and 5-positions respectively.


aminonicotinic acid

An aromatic amino acid that is nicotinic acid in which one of the hydrogens attached to the pyridine ring is replaced by an amino group. A 'closed class'.


A furan carrying an acetyl substituent at the 2-position. Used in the production of the antibiotic cefuroxime (CHEBI:3515).


rilpivirine

An aminopyrimidine that is pyrimidine-2,4-diamine in which the amino groups at positions 2 and 4 are substituted by 4-cyanophenyl and 4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl groups respectively. Used for treatment of HIV.


purine ribonucleoside

A ribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration).


SALINIPYRONE A

A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (1E,3E,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dienyl groups, respectively. It is a polyketide isolated from the marine actinomycete Salinispora pacifica.


didanosine

A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS.


name: 3-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester


aspyridone B

2-Pyridone carrying as substituents a branched dimethylhexanoyl group, a hydroxy group and a 3,4-dihydroxyphenyl group at C-3, -4 and -5 respectively. Secondary metabolite produced by Aspergillus spp.


A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a phenyl group. It is a  maillard reaction product identified in mushroom hydrolysates.


(S)-nornicotine

A pyridine alkaloid that is nicotine lacking the methyl group on the pyrrolidine nitrogen.


(R)-toloxatone

The (R)-enantiomer of toloxatone.


A member of the class of pyridines that is pyridine substituted by a 3-oxo-3-(pyridin-4-yl)prop-1-en-1-yl group at position 3. An inhibitor of PFKFB3 kinase, an enzyme with a key role in glycolysis.


A methylpyridine in which the methyl substituent is at position 4.


A pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 3 is substituted by a methyl group.


nafadotride

A naphthalenecarboxamide resulting from the formal condensation of the carboxylic acid group of 4-cyano-1-methoxynaphthalene-2-carboxylic acid with the primary amino group of 1-(1-butylpyrrolidin-2-yl]methanamine. It is a highly potent, competitive, preferential dopamine D3 receptor antagonist, centrally active upon systemic administration.


AMPK activator PT 1

A member of the class of furans that in which the furan ring is substituted by a (2-amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl group at position 2 and a 4,5-dimethyl-2-nitrophenyl group at position 5, and i which the amino substituent of the thiazolone has been substituted by a 3-carboxy-4-chlorophenyl group. It is a direct activator of the alpha-subunit of AMP-activated protein kinase (5' adenosine monophosphate-activated protein kinase, AMPK).


A piperidone that consists of 3-hydroxybutanoic acid substituted at position 2 by a 3-amino-6-hydroxy-2-oxopiperidin1-yl group.


name: 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester


(R)-omeprazole

A 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole that has R configuration at the sulfur atom.


(-)-(R)-efonidipine

A 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (R)-configuration. It is a selective blocker of T-type Ca(2+) channels.


name: N,N'-diphenylcarbamimidothioic acid [1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl] ester


linaloyl oxide

A member of the class of oxanes carrying a vinyl substituent at position 2 as well as three methyl substituents at positions 2, 6 and 6.


barbital

A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid).


sulfadimidine

A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position.


A carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol.


sulfamethizole

A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2.


A pyrimidine nucleoside derived from the formal condensation of the N(1)-nitrogen of 4-amino-5-methylcytosine with 2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranose.


name: 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester


chlormezanone

A 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions.


thalidomide

A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.


furan-2,5-dicarboxylic acid

A member of the class of furans carrying two carboxy substituents at positions 2 and 5.


A pyrimidone that is uracil in which positions 1, 5, and 6 are substituted by ethoxymethyl, isopropyl, and phenylsulfanyl groups, respectively.


Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively.


Lansamide 4

A 3-hydroxy-6-methoxy-1-methyl-4,5-diphenyl-2-piperidinone in which positions 3,4,5 and 6 have S,S,R,R stereochemistry, respectively.


A pyrrolidin-2-one substituted by two ethyl groups at position 3.


A member of the class of piperidines that is piperidine substituted by ethyl and 2-methylbutyl groups at positions 1 and 3, respectively.


FLUFENACET

An aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group.


A delta-lactam that is piperidine which is substituted by an oxo group at position 2.


aminopyrimidine

A member of the class of  pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives.


pyrrole

A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.


STREPTONIGRIN

Complex cytotoxic antibiotic obtained from Streptomyces flocculus or S. rufochronmogenus. It is used in advanced carcinoma and causes leukopenia.


A thienopyrimidine that is 5,6-dimethylthieno[2,3-d]pyrimidin-4-amine in which the amino group at position 4 has been substituted by an N-(1-benzylpyrrolidin-3-yl) group.


abiraterone acetate

A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo into abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer.


A piperidinylimidazole that is 1H-imidazole carrying a piperidin-4-yl group, 4-fluorophenyl group and a 2-(3,5-dimethylphenoxy)pyrimidin-4-yl group at positions 1, 4 and 5 respectively. It is a potent inhibitor of  p38alpha mitogen-activated protein kinase and BRD4.


MIDAFOTEL

A member of the class of piperazines that is piperazine substituted by a carboxy group at position 2R and a (1E)-1-phosphonoprop-1-en-3-yl group at position 4. It is an antagonist of N-methyl-D-aspartate receptors (NMDARs) and was in clinical development by Novartis for the treatment of cognition disorders and brain injuries (now discontinued).


mevastatin

A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals.


A member of the class of oxindoles that is 1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-one in which the ethyl group has been substituted at position 2 by a 4-(p-fluorobenzoyl)piperidin-1-yl group.  It is a potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT1D) receptor.


A 2-methylpyrrolidine that has (R)-configuration.


pyrazinone

Any pyrazine carrying one or more oxo substituents.


LEHUALIDE H

A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(acetylsulfanyl)decyl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells.


barbiturate

Conjugate base of barbituric acid.


amisulpride

A member of the class of benzamides resulting from the formal condensation of the carboxy group of 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid with the primary amino group of 2-(aminomethyl)-1-ethylpyrrolidine. It is a potent, selective dopamine D2 and D3 receptor antagonist. It is an atypical antipsychotic/antischizophrenic agent with limited extrapyrimidal side effects.


The 5-hydroxy-6-methyl derivative of nicotinic acid.


ropivacaine

A piperidinecarboxamide-based amide-type local anaesthetic (amide caine) in which (S)-N-propylpipecolic acid and 2,6-dimethylaniline are combined to form the amide bond.


propionyl adenylate

A member of the class of  adenosines that is adenosine with the hydrogen on the 5'-hydroxy group replaced with a propanoyl group.


sulfasalazine

An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.


Pyrimidine substituted with a methoxy group at position C-2 and an amine group at C-4.


A C-nitro compound that is a bismorpholine consisting of two morpholinomethyl groups bonded to C-1 of 1-nitropropane.


FLUAZIFOP-P-BUTYL

A butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has R configutation. The active enantiomer of the herbicide fluazifop-butyl, it is used as a post-emergence herbicide for the control grass weeds in various broad-leaved crops.


edoxaban

A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.


4-coumaroyltriacetic acid lactone

A polyketide that is 4-hydroxypyran-2-one carrying an additional 4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl group at position 6; produced due to derailment from the canonical 2',4,4',6'-tetrahydroxychalcone-producing reaction pathway.


N-bromosuccinimide

A five-membered cyclic dicarboximide compound having a bromo substituent on the nitrogen atom.


amaranthin

A disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(1->2)-beta-D-glucosyl moiety is attached at position 5.


name: 5-cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester


name: 4-[[5-[(2,6-dichlorophenyl)sulfonylmethyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester


A lactone which is 9-methyl-1,5-dioxonane-2,6-dione substituted by a benzyl group at position 8, a [(3-hydroxy-pyridine-2-yl)carbonyl]amino group at position 3 and an isobutyryloxy group at position 7. It is isolated from the mycelia cake of Streptomyces sp. 517-02 and exhibits potent antifungal activity.


An aromatic amide obtained by formal condensation of the carboxy group of 2,4-dimethyl-1,3-oxazole-5-carboxylic acid with the aromatic amino group of 4-fluoro-3-[6-(pyridin-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]aniline. A proteasome inhibitor known to be active against the three parasites that cause Chagas disease, leishmaniasis and sleeping sickness.


pyrimidone

A pyrimidine carrying one or more oxo substituents.


A member of the class of aminopyrimidines that is 5-chloro-6-methylpyrimidin-4-amine in which one of the amino hydrogens is replaced by a 1-[4-(difluoromethoxy)phenyl]propyl group.


A member of the class of morpholines that is morpholine in which the amino group is substituted by a 2-hydroxyethoxy group.


pyrimidines

Any compound having a pyrimidine as part of its structure.


pacritinib

An azamacrocycle with formula C28H32N4O3. It is a Janus kinase inhibitor and its citrate salt is approved for the treatment of intermediate or high risk, primary or secondary myelofibrosis.


alfentanil

A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position.


name: 4-[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester


(S,S,S)-nicotianamine

The (S,S,S)-stereoisomer of  nicotianamine.


dasabuvir

A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.


D-proline

The D-enantiomer of proline.


tenoxicam

A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine.  Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries.


plerixafor

An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma.


name: 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester


4-hydroxy-TEMPO benzoate

A member of the class of piperidines that is TEMPO carrying a benzoyloxy group at position 4.


A 6-(3-hexenyl)tetrahydro-2H-pyran-2-one in which the double bond adopts a cis-configuration.


cycrimine

A member of the class of piperidines that is 3-(piperidin-1-yl)propan-1-ol in which one of the hydrogen atoms at the 1-position is substituted by cyclopentyl, and the other is substituted by phenyl. A central anticholinergic, it is used as its hydrochloride salt in the management and treatment of Parkinson's disease.


A monochloropyridine that is 2,5-dioxo-2,5-dihydropyridine which is substituted at positions 3 and 6 by a hydroxy group and a chlorine, respectively.


A dihydroxypyridine that is pseudooxynicotine in which the hydrogens at positions 2 and 6 on the pyridine ring are substituted by hydroxy groups.


A guanosine derivative having a 1-carboxyethyl group attached at the N(2)-position.


A member of the class of furans that is furan substituted by an octyl group at position 2.


Guanosine substituted at the purine 8-position by a nitro group.


HYDROCHLORTHIAZIDE

An azole in which the five-membered heterocyclic aromatic skeleton contains a N atom and one S atom.


A monohydroxypyridine that is pyridine in which the hydrogen at position 4 has been replaced by a hydroxy group.


ciclopirox

A cyclic hydroxamic acid that is 1-hydroxypyridin-2(1H)-one in which the hydrogens at positions 4 and 6 are substituted by methyl and cyclohexyl groups, respectively. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections.


The L-stereoisomer of N-(2,4-dinitrophenyl)proline, a proline derivative having a 2,4-dinitrophenyl substituent on nitrogen.


isoxazolidinone

An oxazolidinone in which the N and O atoms are adjacent.


name: 8-methyl-6-(3-methyl-2-thiophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester


inosines

Any purine ribonucleoside that is a derivative of inosine.


(S)-fenpropimorph

A 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which the methyl substituents on the morpholine ring are in a cis relationship to each other and in which the remaining stereocentre has S configuration.


cystathionine ketimine

A 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid that has R-configuration. It is cyclic sulfur-containing imino acid detected in bovine brain extracts.


An  aminopyrimidine carrying an amino group at position 2.


isoxazoline

An organic heteromonocyclic compound that is a dihydro derivative of any isoxazole.


purmorphamine

A member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group.


N-succinimidyl N-methylcarbamate

A member of the class of pyrrolidinones that is N-hydroxysuccinimide in which the hydroxyl hydrogen is replaced by a methylcarbamoyl group.


A secondary carboxamide resulting from the formal condensation of the carboxy group of 1-[1-(naphthalen-1-yl)ethyl]piperidine-4-carboxylic acid with the amino group of 1-(2-methoxypyridin-4-yl)methanamine. It is a SARS-CoV-2 papain-like protease (PLpro) inhibitor.


name: 6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridine-4-carboxylic acid ethyl ester


1-vinylaziridine and its substitution derivatives.


A monobromopyridine in which the bromo substituent is located at position 3.


paliperidone palmitate

A racemate comprising equimolar amounts of (R)- and (S)-paliperidone palmitate. A long-acting injectable formulation of paliperidone (the major active metabolite of risperidone) that is used for treatment of schizophrenia.


thiomorpholine-3-carboxylic acid

A thiomorpholinemonocarboxylic acid having the carboxy group at the 3-position.


A  lignan that is (+)-lariciresinol substituted by a methoxy group at position 5'. It has been isolated from the stems of  Sinocalamus affinis.


MPEP

A methylpyridine that coinsists of 2-methylp[yridine bearing an additional phenylethynyl group at position 6. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw.


name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester


5-(dihydroxymethyl)-2-furoic acid

A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a dihydroxymethyl group.


DEHYDROACETIC ACID

A pyran-2,4-dione substituted at position 3 by an acetyl group and at position 6 by a methyl group. A fungicide and bactericide it is used primarily in processed fruit and vegetables.


methylphenidate

A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.


A hydroxycalciol that is calcitriol which has undergone formal oxidative coupling at positions 20 and 23 to the hydroxy group and methyl group, respectively, of methanol to afford the corresponding oxolane ring (the 20S,23S stereoisomer). It is a superagonist of the vitamin D nuclear receptor in vitro, but is as calcemic in vivo as the natural ligand.


eprazinone

A member of the class of piperazines in which the two amino hydrogens of piperazine are replaced by 2-benzoylpropyl and 2-ethoxy-2-phenylethyl groups.


A phosphorodiamidate ester of N,N-dimethyladenosine in which the NR2 groups on phosphorus are morpholino and N(2)-acetyl-N(5)-L-lysino.


cyclosporin A metabolite M18

A cyclosporin A derivative that is cyclosporin A metabolite M17 in which the hydroxy group at position 3 of residue 1 [(2S,3R,4R,6E)-3,8-dihydroxy-4-methyl-2-(methylamino)oct-6-enamide] has undergone addition to the double bond at position 6 to afford the corresponding dioxolane ring.


A diphenylfuran in the the phenyl groups are located at positions 2 and 5 on the furan ring.


A furan having a nitro group at position 5 and a carboxamido group in turn bearing a long-chain multifunctional N-alkyl group at position 2.


SULFOXAFLOR

A member of the class of pyridines that is 5-ethyl-2-trifluoromethylpyridine in which the ethyl group is substituted at position 1 by an N-cyano-S-methylsulfonimidoyl group. The insecticide sulfoxalor is a mixture of the four possible stereoisomers arising from the two tetrahedral stereocentres.


(S)-paliperidone palmitate

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate that is the (S)-enantiomer of paliperidone palmitate.


imidazoline

An imidazoline compound having the double bond at the 2-position.


purine 2'-deoxyribonucleoside

A 2'-deoxyribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration).


HAMACANTHIN B

An optically active form of hamacanthin A having S-configuration. It is an antifungal drug isolated from deep water marine sponge Hamacantha sp.


(S)-haloxyfop-etotyl

A 2-ethoxyethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has S configuration.


A 3-[5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine that is the (3R,5S)-diastereomer of pyrisoxazole.


METALDEHYDE

A member of the class of tetroxocanes that is 1,3,5,7-tetroxocane which carries four methyl groups at positions 2,4,6 and 8. It is a potent molluscicide and the active ingredient in most slug pellets used for crop protection.


bepotastine

An ether that is (S)-(4-chlorophenyl)(pyridin-2-yl)methanol in which the hydroxyl hydrogen is substituted by a 1-(3-carboxypropyl)piperidin-4-yl group. A topical, selective and non-sedating histamine (H1) receptor antagonist used (as its benzenesulfonate salt) for treatment of itching associated with allergic conjunctivitis.


A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group.


DIFENOCONAZOLE

A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups.  A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms.


thienylfentanyl

An anilide resulting from the formal condensation of the aryl amino group of N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.


DIAVERIDINE

An aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species.


Any pyridone that is pyridin-4-one or its derivatives by substitution of one of more of the hydrogens.


marbofloxacin

A fluoroquinolone antibiotic that is 7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline substituted at positions 6, 9 and 10 by carboxy, fluoro and 4-methylpiperazin-1-yl groups, respectively. A synthetic, broad spectrum bactericidal agent, it is used in veterinary medicine, although its mechanism of action is not thoroughly understood.


betrixaban

A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade.


azilsartan

A benzimidazolecarboxylic acid that is benzimidazole-7-carboxylic acid substituted at position 2 by a methoxy group and at position 1 by a 2'-[(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl group. Used (as the prodrug, azilsartan medoxomil) for treatment of hypertension.


A tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a  serotonergic agonist used as a recreational drug.


3-furoic acid

A furoic acid carrying the carboxy group at position 3.


A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.


A tripeptide that consists of a glycine residue flanked by two piperidine-4-carboxylic acid units (connected via amide linkages) where the amino terminus is acylated by a 3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl group and the carboxy terminus is formally condensed with the amino group of 3-[2-(2-aminoethoxy)ethoxy]propanoic acid, the carboxy group of which is in turn formally condensed with the alpha-amino group of N(6)-5-nitrofuroyllysine.


ANISOMYCIN

An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.


efinaconazole

A member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes).


Guanosine with the hydrogen on the amine at position N-2 substituted with a methyl group.


deacetylpyripyropene E

An organic heterotetracyclic compound that is (3S,4aR,6aR,12aR,12bS)-3-hydroxy-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one substituted by a pyridin-3-yl group at position 9 (the 3S,4aR,6aR,12aR,12bS stereoisomer).


(S)-pyrimisulfan

A N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide that has S configuration.


An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxoethylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and glyoxal.


name: 2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester


aspernigrin B

A pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neuroprotective protperties.


D-pipecolic acid

The D-enantiomer of pipecolic acid.


Conjugate acid of 6-hydroxynornicotine; major microspecies at pH 7.3


SUCCINCHLORIMIDE

A five-membered cyclic dicarboximide compound having a chloro substituent on the nitrogen atom.


A member of the class of pyrrolines that is 1-pyrroline substituted at position 2 by a methyl group.


vatalanib

A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.


Compounds with a 1,2,3-triazolidine skeleton.


BROMACIL

A racemate consisting of equimolar concentrations of (R)- and (S)-bromacil.


(R)-cybenzoxasulfyl

The (R)-enantiomer of cybenzoxasulfyl.


4-methyl-2-pyrroline-5-carboxylic acid

A pyrroline consisting of 2-pyrroline having methyl and carboxy substituents at positions 4 and 5 respectively.


meropenem

A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively.


lenalidomide

A dicarboximide that consists of 1-oxoisoindoline bearing an amino substituent at position 4 and a 2,6-dioxopiperidin-3-yl group at position 2. Inhibits the secretion of TNF-alpha.


3-hydroxypicolinic acid

A monohydroxypyridine that is picolinic acid in which the hydrogen at position 3 is replaced by a hydroxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of oligonucleotides.


5-formyl-2-furoic acid

A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a formyl group.


An N-acylglycine in which the acyl group is specified as 3-pyridylacetyl.


An oxazoline derivative having an oxo group at the 2-position and an N-{[(5-nitro-2-furyl)methylene]amino} substituent.


Inosine carrying a methyl substituent on the hydroxy group at position 2' on the ribose ring.


olaparib

A member of the class of N-acylpiperazines obtained by formal condensation of the carboxy group of 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid with the free amino group of N-(cyclpropylcarbonyl)piperazine; used to treat advanced ovarian cancer.


melophlin P

A member of the class of pyrrolidin-2-ones that is 1,5-dimethylpyrrolidine-2,4-dione substituted by a 1-hydroxyhexadecylidene moiety at position 3. Isolated from the marine sponge Melophlus sarasinorum and other species of genus Melophlus, it exhibits cytotoxicity against murine leukemia cell line.


ALLOXAN

A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups.


name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-morpholinyl)benzoic acid methyl ester


polyoxorim

A member of the class of polyoxins that is isolated from the soil organism Streptomyces cacaoi var. asoensis. Polyoxorim exhibits fungicidal properties and may be used on rice, industrial grounds, golf courses and parks.


dyclonine

N-Ethylpiperidine in which one of the hydrogens attached to the methyl group is substituted by a 4-butoxybenzoyl group.


A diphenylfuran in the the phenyl groups are located at positions 2 and 4 on the furan ring.


A member of the class of methylpyridines that is (6-methylpyridin-2-yl)methanol in which the hydroxy group is substituted by a [1-(4-chloro-3-{[(methoxycarbonyl)amino]methyl}phenyl)ethylidene]amino group.


disopyramide

A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a  anti-arrhythmia drug.


ethosuximide

A  dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures.


chlorpheniramine

A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.


nitrofuran antibiotic

A member of the class of furans in which the furan ring is substituted by a nitro group and which also has significant antibiotic properties.


ranitidine N-oxide

A N-oxide derivative of ranitidine.


LY 294002

A chromone substituted with a phenyl group at position 8 and a morpholine group at position 2.


name: 4-(1-piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester


(R)-idazoxan

An idazoxan that has R configuration.


sch 210972

A member of the class of pyrrolidin-2-ones isolated from the fungal fermentation broth of  Chaetomium globosum and shown to exhibit inhibitory activity against chemokine receptor CCR-5.


A memger of the class of benzimidazoles that is benzimidazole that is substituted by methyl groups at positions 1 and 4, by a 2,4-difluoroanilino group at position 2, and by a (2-acetamidopyridin-4-yl)oxy group at position 5. It is a type II JAK2 inhibitor with antineoplastic activity.


A nucleoside analogue that is 2'-deoxyuridine in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group.


N-hydroxypipecolic acid

An N-hydroxy-alpha-amino-acid resulting from the formal N-hydroxylation of the amino group of piperidine-carboxylic acid (pipecolic acid).


futokadsurin A

A lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4 (relatively trans configuration), a 3,4-dimethoxyphenyl moiety at position 5 (relatively trans to the methyl group at position 4) and a 4-hydroxy-3-methoxyphenyl group at position 2 (relatively cis to the methyl group at position 3). Isolated from  the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO).


name: 4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester


A member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension.


pyrimidine antifungal agent

A member of the class of pyrimidines that has significant antifungal properties.


MIGRASTATIN

A 14-membered macrolide which is isolated from Streptomyces sp.MK929-43F1 and inhibits cell migration of human esophageal cancer EC17 cells and mouse melanona B16 cells.


name: 1-(2-cyanoethyl)-6-(2-fluoro-4-methoxyphenyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester


A member of the class of oxazolidinones that is 3-amino-1,3-oxazolidin-2-one substituted by a morpholin-4-ylmethyl group at position 5. It is the metabolite of furaltadone,  a broad-spectrum antibacterial drug which was widely used as an additive in livestock and aquaculture feed.


name: 4-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester


N-methylmorpholine N-oxide

A morpholine N-oxide resulting from the oxidation of the amino group of N-methylmorpholine.


The hydroxypyrimidine that is pyrimidine mono-substituted at C-2 by a hydroxy group.


compound 1 [PMID: 17935984]

A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are replaced by 2-ethoxyethyl and 4-(4-fluorophenoxy)phenoxy groups. It is a potent and selective inhibitor of matrix MMP-13 (metalloproteinase-13, collagenase 3).


dainic acid A

An L-proline derivative that is L-proline substituted by a carboxymethyl group at position 3 and a (2E)-6-methylhepta-2,5-dien-2-yl group at position 4. It is produced by the red algal Chondria armata.


clindamycin

A carbohydrate-containing antibiotic that is the  semisynthetic derivative of lincomycin, a natural antibiotic.


HISPIDIN

Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus).


elbasvir

A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.


FLUOXASTROBIN

An oxime O-ether that is the O-methyl oxime of (2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone. A fungicide used for disease control of potatoes and a wide range of vegetables.


(S)-nipecotamide

The (3S)-enantiomer of nipecotamide.


florpyrauxifen

A pyridinemonocarboxylic acid that is picolinic acid which is substituted at positions 3, 4, 5, and 6 by chlorine, amino, fluorine, and 4-chloro-2-fluoro-3-methoxyphenyl groups, respectively. An auxin herbicide developed by Dow AgroSciences and sold as the corresponding benzyl ester, florpyrauxifen-benzyl.


piromidic acid

A pyridopyrimidine that is 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, substituted at position 2 by a pyrrolidin-1-yl group and at position 8 by an ethyl group. A synthetic antibacterial which is used for the treatment of urinary tract and intestinal infections.


A member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a tetradecyl group. The configuration at positions 2 and 6 is unknown or unspecified.


lipoic acid

The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties.


name: 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester


LEHUALIDE I

A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(methylsulfanyl)decyl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells.


necrosulfonamide

A sulfonamide that is a 3-methoxypyrazin-2-yl derivative of (E)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide. Necrosulfonamide specifically blocks necrosis downstream of the activation of RIP3 (the receptor-interacting serine-threonine kinase 3), a key signalling molecule in the programmed necrosis (necroptosis) pathway.


The (S)-enantiomer of azetidine-2-carboxylic acid.


name: 2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester


A pyrimidine 2'-deoxyribonucleoside that is 5-hydroxymethyl-2'-deoxyuridine in which the hydroxymethyl group at position 5 has been formally converted to the corresponding 2-aminoethyl ether. It is a thymidine hypermodification replacing 40% of thymidine nucleotides in the Salmonellaphage ViI.


(S)-bromacil

The (S)-enantiomer of 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione.


A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(morpholin-4-yl)phenyl and 2-(methanesulfonylamino)phenyl substituents. It is an inhibitor of the Parkinson's disease kinase LRRK2.


hydroxypyridone antifungal drug

Any pyridone which is substituted on the nitrogen by a hydroxy group and which has been used as an antifungal drug.


A L-glutamine derivative obtained by formal condensation of the side-chain carboxy group of L-glutamine with one of the amino groups of 2-(4-{[5-(aminomethyl)furan-3-yl]methoxy}phenyl)ethan-1-amine.


A  sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine.


A cyclic dicarboxylic anhydride that is furan-2,5-dione substituted by at position 3 by a  carboxymethyl group and a hexyl group at position 4.


(S)-2,3,4,5-tetrahydrodipicolinic acid

The (2S)-stereoisomer of 2,3,4,5-tetrahydrodipicolinic acid.


A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor.


ethionamide S-oxide

A member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide.


prosopinine

A  piperidine alkaloid that is a hydroxypiperidine with a hydroxy group at position C-3, a hydroxymethyl group at C-2, and an 8-hydroxydecyl group at C-6.


A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline.


tunicamycin A2

A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a tetradec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety.


prosolanapyrone I

A prosolanapyrone bearing a methyl substituent at position 3 of the pyrone ring.


LAVOLTIDINE

A triazole that consists of 1,2,4-triazole bearing a methyl substituent at position 1, a hydroxymethyl substituent at position 3 and a {3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino group at position 5. A highly potent and selective H2-receptor antagonist.


name: 2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester


nelociguat

A member of the class of pyrazolopyridines that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl and 4,6-diamino-5-[(methoxycarbonyl)amino]pyrimidin-2-yl groups at positions 1 and 3, respectively. It is an active metabolite of riociguat and a soluble guanylate cyclase stimulator developed by Bayer for the treatment of erectile dysfunction and heart failure.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and 2-oxoheptadecyl groups respectively.


Major microspecies at pH 7.3.


IMAZAMOX

A racemate composed of equimolar amounts of (S)- and (R)-imazamox. An inhibitor of acetohydroxyacid synthase, it is used (particularly as the corresponding ammonium salt, known as imazamox-ammonium) as a herbicide for the control of grass, broad-leaf weeds, and pond weed.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and nonadecyl groups respectively.


name: 6-(4-chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester


A ring assembly that consists of 2,2'-bifuran substituted by butoxy groups at positions 5 and 5' respectively. It is isolated from the aerial parts of Chrysanthemum coronarium and acts as an inhibitor of human AcylCoA:cholesterol acyltransferase hACAT-1 and hACAT-2.


MOLSIDOMINE

A member of the class of oxadiazoles that is 1,2,3-oxadiazole substituted by morpholin-4-yl and (ethoxycarbonyl)azanidyl groups at positions 3 and 5, respectively. It is used as a vasodilator drug for the treatment of myocardial ischemic syndrome and congestive heart failure.


pyridoxamine hydrochloride

A hydrochloride obtained by combining pyridoxamine with one molar equivalent of hydrochloric acid. Used for treatment of diabetic nephropathy.


A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have S configuration. It is the inactive enantiomer in the racemic drug methylphenidate.


fominoben

Any compound containing morpholine as part of its structure.


A triazolothiadiazole that is 1,7a-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole substituted by a 4-methyl-1,2,3-thiadiazol-5-yl group at position 3 and by a trichloromethyl group at position 6. It is a fungicide with a wide spectrum of activity and inhibits the enzymatic activity of pyruvate kinase.


A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and (2,4-dihydroxy-6-methylphenyl)-2-oxoethyl groups respectively.


A dihydroxypyridine that is pyridine substituted by hydroxy groups at positions 2 and 5.


(R)-nipecotic acid

The (R)-enantiopmer of nipecotic acid.


A member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively.


name: N-[(5-nitro-2-furanyl)methylideneamino]carbamic acid methyl ester


buzepide

A member of the class of azepanes that is 2-phenylacetamide in which the methylene hydrogens at position 2 are replaced by a phenyl group and an aminocarbonyl group. It inhibits gastric juice secretion.


NITRAPYRIN

A chloropyridine that is 2-chloropyridine which is substituted by a trichloromethyl group at position 6. It is a nitrification inhibitor that is co-applied with nitrogen fertilizer in agroecosystems.


A pyrimidine derivative having amino substituents in the 2- and 6-positions, a hydroxy substituent at the 4-position and an N-methylformamido group at the 5-position.


A pyrrolidin-2-one substituted by 6-carboxyhexyl and 3-hydroxyoctyl groups at positions 1 and 2, respectively. It is a potent prostaglandin EP4 receptor agonist (Ki=35 nM).


(SC,RS)-sulfoxaflor

A [methyl(oxido){1-[6-(trifluoromethyl)pyridin-3-yl]ethyl}-lambda(6)-sulfanylidene]cyanamide that has R configuration at the sulfur atom and S configuration at the carbon attached to position 3 of the pyridine ring.


timolol

1,2,5-Thiadiazole substituted at the 3 position by a 3-(tert-butylamino)-2-hydroxypropoxy group and at the 4 position by a morpholin-4-yl group. The (S)-(-) enantiomer, also known as timolol, is a beta-adrenergic antagonist and is used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.


(R)-chlormezanone

The (R)-enantiomer of chlormezanone.


19-(2-furyl)nonadeca-5,7-diynoic acid

An acetylenic fatty acid that is nonadeca-5,7-diynoic acid substituted by a furan-2-yl group at position 19. Isolated from Polyalthia evecta, it exhibits anti-HSV-1 and antiplasmodial activity.


tenuazonic acid

A member of the class of pyrrolidin-2-ones that is 5-(butan-2-yl)pyrrolidine-2,4-dione carrying an additional acetyl group at position 3. A mycotoxin produced by various plant pathogenic fungi.


Novel antimicroial-Chemical Compound


An aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4).


A member of the class of  adenosines that is 5'-dehydro derivative of adenosine.


floxuridine

A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.


a pyrimidine ribonucleoside

Any pyrimidine ribonucleoside


A member of the class of piperidines that is piperidine substituted by a propyl group at position 2.


A dihydroxypyrrolidine that consists of 5-hydroxymethylpyrrolidine-3,4-diol bearing a 4-aminophenyl substituent at position 2 (the 2S,3S,4R,5R-diastereomer).


A member of the class of  thiadiazoles that is  1,3,4-thiadiazole substituted by an amino group at position 2 and an ethyl group at position 5 respectively.


(E)-buprofezin

A 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has E configuration.


An N-glycosyl compound that is a metabolite produced by the bacterium Mycoplasma genitalium.


oxidized Renilla luciferin

An aromatic amide obtained by formal condensation of the carboxy group of phenylacetic acid with the exocyclic amino group of 4-(5-amino-6-benzylpyrazin-2-yl)phenol.


name: 4-chlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester


A member of the class of piperidines that is piperidine substituted by (4-carboxyphenyl)methyl and {[(1R,2S)-2-phenylcyclopropyl]amino}methyl groups at positions 1 and 4, respectively. It is a potent and irreversible inhibitor of lysine specific demethylase 1 (LSD1, also known as KDM1A). It was under clinical investigation for the treatment of acute myeloid leukaemia and small cell lung carcinoma.


A member of the class of furans that is furan substituted by methyl and methylsulfanyl groups at positions 2 and 5, respectively. It is a metabolite found in coffee and human urine.


aspyrone

A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one in which the hydrogens at positions 3, 5S and 6R are replaced by (2S,3S)-3-methyloxiran-2-yl, hydroxy and methyl groups, respectively. It is a fungal metabolite isolated from Aspergillus melleus and exhibits nematicidal, antibacterial and antifungal properties.


tunicamycin C2

A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a hexadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety.


paliperidone

A member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.


An N-(adenosin-N(6)-ylcarbonyl)threonine in which the adenosine ring is carrying a 2-methylthio substituent.


A blasticidin that is an antibiotic obtained from Streptomyces griseochromogene.


A guanosine where the hydrogens of the amine group at C-2 are substituted by methyl groups.


A member of the class of indoles that is (betaS)-beta-methyl-D-tryptophan in which the primary amino group undergoes formal condensation with the carboxy group of 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine-1-carboxylic acid and the carboxy group undegoes formal condensation with the amino group of (1R,3S)-cyclohexane-1,3-diyldimethanamine. It is a selective nonpeptidic agonist of the somatostatin subtype-2 (SST2) receptor with Ki of 0.05 nM.


A member of the class of imidazopyridines that is 4-(1-ethylimidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol carrying additional 2-(4-amino-1,2,5-oxadiazol-3-yl and [(3S)-piperidin-3-yl]methoxy substituents at positions 4 and 7 respectively.


name: 2,6-dimethyl-4-(2-phenylethenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester


NEBULARINE

A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage.


FURFURYL ALCOHOL

A furan bearing a hydroxymethyl substituent at the 2-position.


A member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a 3-(p-tert-butylphenyl)-2-methylpropyl group.


cytosine

An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4.


dabrafenib

An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma.


A member of the class of pyrimidines that is pyrimidine substituted by a hydroxymethyl group at position 2.


A secondary carboxamide resulting from the formal condensation of the carboxy group of 3-cyano-5-(pentafluoro-lambda(6)-sulfanyl)benzoic acid with the amino group of 2,4-dimethyl-5-[6-(pyridin-3-yl)-1H-imidazo[1,2-b]pyrazol-1-yl]aniline. It is a potent TIE-2 inhibitor (Kd = 1.6 nM) which displays in vivo efficacy in some murine glioma models.


A [3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which the methyl subsituents on the morpholine ring are in a trans relationship to each other.


perampanel

A member of the class of bipyridines that is 2,3'-bipyridin-6'-one substituted at positions 1' and 5' by phenyl and 2-cyanophenyl groups respectively. Used as an adjunctive therapy for the treatment of partial-onset seizures in patients with epilepsy.


A carboxamide resulting from the formal condensation of the carboxy group of 5-(p-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid with the amino group of 3-phenoxyazetidine and in which the phenoxy group has been substituted at the para- position by a 2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl group. It is a melanin concentrating hormone receptor 1 (MCHr1) antagonist.


A furan carrying two hydroxymethyl substituents at the 2- and 5-positions.


An oxazinane alkaloid that is methyl (4S)-1,3-oxazinane-4-carboxylate substituted by a (1H-pyrrol-2-yl group at position 2 and a 2-methylheptyl group at position 5. Isolated from Celastrus angulatus, it exhibits cytotoxic activity.


A member of the class of aminopyridines that is pyridine substituted by 1-carboxyethoxy, chloro, amino, chloro, and fluoro groups at positions 2, 3, 4, 5, and 6, respectively.


A furan having a nitro group at position 5 and a carboxamido group in turn bearing a long-chain multifunctional N-alkyl group at position 2.


A dicarboximide that is piperidine which is substituted by oxo groups at positions 2 and 6.


DIPICOLINIC ACID

A pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6.


L-pipecolic acid

The L-enantiomer of pipecolic acid. It is a metabolite of lysine.


A member of the class of imidazoles carrying 4-methylsulfinylphenyl, 4-pyridyl and 4-fluorophenyl substituents at positions 2, 4 and 5 respectively. An inhibitor of mitogen-activated protein kinase.


lehualide J

A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(methylsulfinyl)decyl group at position 6. It has been isolated from the marine sponge of the genus Plakortis.


name: 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester


archaeosine

A 7-deazaguanine ribonucleoside having 7-formamidino-7-deazaguanine as the nucleobase. It is found in the majority of archaeal tRNAs specifically at position 15 of the dihydrouridine loop (D-loop), a position not modified in either eukaryotic or bacterial tRNA.


chloropyridine

Compounds containing a pyridine nucleus substituted with one or more chlorine atoms.


proglumetacin

A carboxylic ester obtained by formal condensation of the carboxy group of indometacin with the hydroxy group of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate. Used (as its dimaleate salt) to control pain and inflammation associated with musculoskeletal and joint disorders. Following oral administration, it is metabolised to indometacin and proglumide, a drug with antisecretory effects that helps prevent injury to the stomach lining.


A sulfonamide in which the nitrogen is the piperidinyl nitrogen of a 2-(pyridin-3-yl)piperidin-1-yl group and the sulfonyl sulfur carries a 4-acetamidophenyl substituent.


pyroglutamine

A dicarboximide that is piperidine-2,6-dione substituted at position 3 by an amino group.


pramocaine

A member of the class of morpholines that is morpholine substituted at the nitrogen atom by a 3-(4-butoxyphenoxy)propyl group.


NIGERAPYRONE D

A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.


A member of the class of trioxolanes that is cyclopentane in which the carbon atoms at positions 1, 2 and 4 are replaced by oxygen atoms.


pyridinemonocarboxylic acid

A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring.


A Good's buffer substance, pKa = 6.8 at 20 degreeC.


A positively charged methylinosine in which a single methyl substituent is located at position 7 on the hypoxanthine ring.


ranitidine

A member of the class of  furans used to treat  peptic ulcer disease (PUD) and gastroesophageal reflux disease.


5-aminoimidazole ribonucleoside

A 1-ribosylimidazole that is 5-aminoimidazole in which the hydrogen at position 1 has been replaced by a beta-D-ribofuranosyl group.


A nitrone that is the N-oxido derivative of N-tert-butyl(3,5,6-trimethylpyrazin-2-yl)methanimine.


A dicarboximide that is  thalidomide substituted at position 5 by an ethenyl group, which in turn is substituted by a feruloyl group at position 2. The compound is a hybrid based on the structures of  thalidomide and curcumin and has been found to exhibit cytotoxicity against human multiple myeloma cells.


A pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and 2-oxoheptyl groups respectively.


broclozone

An isoxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-bromo-4-chlorobenzyl group at position 2 and two methyl groups at position 4. It is DOXP-inhibiting herbicide developed by KingAgroot with both foliar and soil activity, and expected to be launched in China in 2025.


A member of the class of butanals that is succinic semialdehyde in which the hydroxy group of the carboxylic acid function is replaced by a pyridin-3-yl group.


tarocin A

A member of the class of oxazolidinones that is oxazolidin-2-one substituted at positions 3, 4 and 5 by (naphthalen-1-yl)acetyl, methyl and 3,5-bis(trifluoromethyl)phenyl groups respectively. An inhibitor of teichoic acid biosynthesis.


A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups.


zolmitriptan

A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine.


A lignan that is  (+)-lariciresinol substituted by additional methoxy groups at positions 5 and 5'. It has been  isolated from them stems of Sinocalamus affinis.


DEOXYFUCONOJIRIMYCIN

A hydroxypiperidine in which the three hydroxy substituents are located at positions 3, 4 and 5 together with an additional methyl substituent at position 2.


streptokordin

A pyridone that is pyridin-2(1H)-one substituted by an acetyl group at position 4 and a methyl group at position 6. It is isolated from the fermentation broth of Streptomyces sp. KORDI-3238 and exhibits moderate cytotoxicity against a number of human cancer cell lines.


A dihydropyridine that is 2,3-dihydropyridine substituted by methyl, acetyl, hydroxy and methyl groups at position 2, 3, 4, and 6, respectively.


(S)-ICLAPRIM

A 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has S configuration.


gepirone

A member of the class of piperidones that is piperidine-2,6-dione substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 1 and two methyl groups at position 4.


A member of the class of pyridones that is 2-pyridone carrying cyano, phenyl and 3-bromo-6-hydroxyphenyl substituents at positions 3, 4 and 6 respectively


(S)-oxpoconazole

A {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone that is the (S)-enantiomer of oxpoconazole.


REVERSINE

A member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively.


1-deoxynojirimycin-1-sulfonic acid

A hydroxypiperidine that is duvoglustat carrying a sulfo group at position 6beta. It is an alpha-glucosidase inhibitor and an activator of the human glucose sensor SGLT3.


A carboxylic ester resulting from the formal condensation of the carboxy group of 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]propanoic acid with the hydroxy group of tetrahydrofuran-2-ylmethanol.


arsoles

Any of several substituted analogues of the parent compound arsole.


A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the primary amino group of N(3)-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-4-methylbenzene-1,3-diamine. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 47 nM and 145 nM, respectively.


hydroxy torasemide

An aromatic primary alcohol resulting from the hydroxylation of the 3'-methyl group of the phenyl ring of torasemide. It is a metabolite of torasemide.


flunixin

A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a 2-methyl-3-(trifluoromethyl)phenylamino group. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine (usually as the meglumine salt) for treatment of horses, cattle and pigs.


fujikurin D

A pyrandione that is dihydro-2H-pyran-2,4(3H)-dione in which the hydrogens at positions 3, 5 and 6 are substituted by 1-hydroxy-2-methylbutylidene, methyl, and methyl groups, respectively. It is a natural product isolated from the fungus Fusarium fujikuroi.


sulodexide

A methyladenosine compound in which two methyl groups are attached to N(6) of the adenine nucleobase and O(2) of the sugar.


manassantin A

A lignan isolated from Saururus cernuus and Saururus chinensis and has been shown to exhibit antineoplastic activity.


idazoxan

A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group.


vladinol D

A lignan which consists of tetrahydrofuran skeleton substituted by a hydroxymethyl group at position 4, a 4-hydroxy-3-methoxyphenyl group at position 5 and a 4-hydroxy-3-methoxybenzoyl group at position 3. It has been isolated from the roots of Rubia yunnanensis.


aminocyclopyrachlor-methyl

A pyrimidinecarboxylate ester that is the methyl ester of aminocyclopyrachlor.


An N-(adenosin-N(6)-ylcarbonyl)threonine in which the threonine portion has L-configuration.


A pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and pentyl groups respectively.


bromopyridine

Compounds containing a pyridine nucleus substituted with one or more bromine atoms.


FURAN

A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid.


Major microspecies at pH 7.3


name: 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester


furans

Compounds containing at least one furan ring.


bicyclopyrone

A member of the class of pyridines that is pyridine which is substituted at positions 2, 3, and 6 by (2-methoxyethoxy)methyl, (2-hydroxy-4-oxobicyclo[3.2.1]oct-2-en-3-yl)carbonyl, and trifluoromethyl groups, respectively. It is a broad-spectrum herbicide developed by Syngenta and used for the pre- and post-emergence control of weeds in corn.


isonocardicin A

A nocardicin in which the beta-lactam moiety is substituted at position 1 by a carboxy(4-hydroxyphenyl)methyl group and at position 3 by a [(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetyl]nitrilo group in which the phenolic hydroxy group is substituted by a (3S)-3-amino-3-carboxypropyl group.


CHRYSOGEDONE A

A  pyridone that is pyridin-2(1H)-one substituted by a methyl group at position 6 and a 1-hydroxybutyl group at position 5. It has been isolated from Penicillium chrysogenum.


An oxalane substituted by an oxo group at position 3.


A member of the class of aminopyrimidine with the amino group at position 4 with additional methyl and formamidomethyl substituents at positions 2 and 5 respectively.


lythramine

A piperidine alkaloid that is lythranidine with the hydroxy group C-10 esterified into an acetate and a methylene bridge formed between the hydroxy at C-9 and the piperidine nitrogen.


TRIAPINE

Triapine is a synthetic heterocyclic carboxaldehyde thiosemicarbazone with potential antineoplastic activity. Triapine inhibits the enzyme ribonucleotide reductase, resulting in the inhibition of the conversion of ribonucleoside diphosphates to deoxyribonucleotides necessary for DNA synthesis. This agent has been shown to inhibit tumor growth in vitro.


A 2-pyranone in which the hydrogens at positions 4, 5 and 6 of 2H-pyran-2-one are replaced by hydroxy, methyl and heptadecyl groups respectively.


pyridoxal hydrochloride

A hydrochloride obtained by combining pyridoxal with one molar equivalent of hydrochloric acid.


nitenpyram

A nitenpyram in which the double bond has E configuration.


tovorafenib

A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.


A pyrimidine 2'-deoxyribonucleoside that is uridine in which the hydroxy group at position 2' has been replaced by two fluoro substituents. It is a metabolite of the drug gemcitabine.


sulfadoxine

A sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial.


LEHUALIDE G

A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 3, a hydroxy group at position 4, a methyl group at position 5 and a (2E)-3-methyl-11-phenylundec-2-en-1-yl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells.


name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester


dihydromonacolin L

A pyranone obtained by selective hydrogenation of the 4a,5-double bond in monacolin L.


A hydrazone obtained by formal condensation of the carbonyl group of 2-hydroxy-3-methoxybenzaldehyde with 2-hydrazinopyridine.


atogepant

A secondary carboxamide resulting from the formal condensation of the carboxy group of (3'S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid with the amino group of (3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one. It is a selective oral, small-molecule antagonist of calcitonin gene-related peptide (CGRP) receptor that has been approved for the treatment of migraine.


An inorganic heteromonocyclic compound that is 1,3,5-triazine in which the carbon atoms have been replaced by phosphorus atoms. It was one of a series of compounds which was being developed for use as a fire-resistant hydraulic fluid.


A 1,2,4-oxadiazole that is substituted by 3-(trifluoromethyl)-4-{[4-(trifluoromethyl)benzyl]oxy}phenyl and (2S)-1-carbamimidoylpyrrolidin-2-yl groups at positions 3 and 5, respectively. It is a potent inhibitor of sphingosine kinase 2 (SphK2) with Ki of 89 nM.


Pyribencarb

A carbamate ester that is the methyl ester of (2-chloro-5-{(1E)-N-[(6-methylpyridin-2-yl)methoxy]ethanimidoyl}benzyl)carbamic acid. A fungicide having excellent activity against a wide range of plant pathogenic fungi, especially gray mould diseases caused by Botrytis cinerea.


An aminopyrimidine compound having its amino group at position 2 and hydroxy and methyl substituents at positions 4 and 6 respectively.


(R)-pyrimisulfan

A N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide that has R configuration.


toloxatone

A racemate consisting of equimolar amounts of (R)- and (S)-toloxatone. It is a reversible monoamine oxidase A inhibitor and antidepressant.


LIGUSTRAZINE

A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum  wallichii).


A member of the class of  benzamides that is N-(2-nitrophenyl)benzamide substituted by a chloro group at position 2 and a piperidin-1-ylsulfonyl group at position 5.


reedsmycin F

A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64.


O-demethylbuchenavianine

A piperidine alkaloid that consists of 5,7-dihydroxyflavone attached to a 1-methylpiperindin-2-yl moiety at position 8. It is a flavonoid alkaloid isolated from Buchenavia capitata, and has been shown to exhibit anti-HIV activity.


A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a methylnitrilo group, (pyridin-3-yl)methyl group, methyl group, hydroxy group and methyl group at position 2,4,5,6 and 7, respectively. It is a dual inhibitor of 5-lipoxygenase and thromboxane A2 synthetase and exhibits anti-inflammatory properties. The drug was being developed by Eisai (Tokyo, Japan) for the treatment of bowel disease.


name: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester


guanosines

Any purine ribonucleoside that is a derivative of guanosine.


1-pyrroline-2-carboxylic acid

The product resulting from formal oxidation of DL-proline by loss of hydrogen from the nitrogen and from the carbon alpha to the carboxylic acid, with the formation of a C=N bond.


name: 3-[[3-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxopropyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester


A biaryl that is pyrimidine substituted at position 4 by a phenyl group.


name: N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester


A purine nucleoside in which  adenine  is attached to xylofuranose via a beta-N(9)-glycosidic bond.


An aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively.


(R)-mevalonolactone

A 4-hydroxy-4-methyloxan-2-one that has (R)-configuration. It is a natural product found in Phomopsis archeri.


A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2.


norfentanyl

A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 4-(N'-phenyl)piperidin-4-amine with propanoic acid. A major metabolite of fentanyl.


thiamine(1+) aldehyde

A heteroarenecarbaldehyde that is thiamine(1+) in which the 2-hydroxyethyl group has been replaced by a 2-oxoethyl group.


bofutrelvir

A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM).


pyrazine N-oxide

Any pyrazine carrying at least one N-oxido substituent.


cryptocaryol A

A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a 2,4,6,8,10-pentahydroxypentacosyl group at position 6. It has been isolated from Cryptocarya species.


biperiden

A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease.


cordysinin B

A member of the class of adenosines that is adenosine in which the hydroxy group at position 2' is replaced by a methoxy group. It has been isolated from the mycelia of Cordyceps sinensis.


A member of the class of pyrimidones that is 1,2-dihydropyrimidin-2-one in which the hydrogen at position 4 is replaced by a 5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl group.


methylphenobarbital

A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups.


(-)-coniine

A 2-propylpiperidine that has R-configuration.


glipizide

An N-sulfonylurea that is glyburide in which the (5-chloro-2-methoxybenzoyl group is replaced by a (5-methylpyrazin-2-yl)carbonyl group. An oral hypoglycemic agent, it is used in the treatment of type 2 diabetes mellitus.


name: 4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester


LARICIRESINOL

A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer).


(R)-nuarimol

A (2-chlorophenyl)(4-fluorophenyl)pyrimidin-5-ylmethanol that has R configuration.


A methyladenosine that is the 1-methyl-2-hydro derivative of adenosine.


uracil-5-carboxylic acid

A pyrimidinemonocarboxylic acid that is uracil carrying a carboxy group at position 5.


A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has R-configuration. It is a potent PARP1 inhibitor with IC50 of 2.4 nM.


name: methanesulfonic acid [(2R,5R)-2-(6-amino-2-chloro-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester


CAERULOMYCIN A

A pyridine alkaloid that is 2,2'-bipyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.


piroxicam

A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid 1,1-dioxide with the exocyclic nitrogen of 2-aminopyridine. A non-steroidal anti-inflammatory drug of the oxicam class, it is used to relieve pain and works by preventing the production of endogenous prostaglandins involved in the mediation of pain, stiffness, tenderness and swelling.


name: 2-pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester


Inosine carrying a methyl substituent on the oxygen at position 6 on the hypoxanthine ring.


clemizole

A member of the class of  benzimidazoles that is 1H-benzimidazole substituted by a pyrrolidin-1-ylmethyl and a 4-chlorobenzyl groups at positions 2 and 1 respectively.


name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-[3-(cyanomethyl)-4-methyl-5-thiazol-3-iumyl]ethyl ester


buparlisib

An aminopyridine that is 4-(trifluoromethyl)pyridin-2-amine substituted at position 5 by a 2,6-di(morpholin-4-yl)pyrimidin-4-y group. A selective PI3K inhibitor with anti-tumour properties.


CLODINAFOP

An aromatic ether that is (R)-lactic acid in which the hydroxy group at position 2 has been converted to the corresponding p-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenyl ether. It is the parent acid of the herbicide clodinafop-propargyl.


A methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (S)-configuration.


(R)-DOXAPRAM

The (R)-enantiomer of doxapram.


A pyrimidine nucleoside that is uridine in which the 5'-hydroxy group has been oxidised to the corresponding aldehyde.


A  monocarboxylic acid amide obtained by formal condensation between N-butyl-L-serinamide and (2Z)-2-(2-furyl)-2-(methoxyimino)acetic acid.


A pyrazine that is substituted by an acetyl group at position 2. It has been identified as one of the volatile flavor constituents in popcorn, bread crust, vinegar, and potato snacks.


aminocyclopyrachlor

An organochlorine herbicide, the structure of which is that of pyrimidine-4-carboxylic acid substituted at positions 2, 5 and 6 by cyclopropyl, chloro and amino groups respectively.


fampridine

An aromatic amine that is pyridine bearing a single amino substituent at position 4. An orphan drug in the US, it is used to improve walking in adults with multiple sclerosis.


benzpyrimoxan

A member of the class of pyrimidines that is pyrimidine substituted by [4-(trifluoromethyl)phenyl]methoxy and 1,3-dioxan-2-yl groups at positions 4 and 5, respectively. It is an insecticide discovered and developed by Nihon Nohyaku, inhibits molting of nymphs of plant and leaf hoppers and reduces the pest population in paddy fields.


IMIDAZOLE

An imidazole tautomer which has the migrating hydrogen at position 1.


DISTIGMINE BROMIDE

An organic bromide salt of distigmine. It is an anticholinesterase drug used for the treatment of myasthenia gravis and postoperative urinary retention.


An aminopyrimidine compound having its amino substituent at the 4-position together with methyl and aminomethyl substituents at the 2- and 5-positions respectively.


palbociclib

A member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituents at positions 5, 6 and 8 respectively. It is used in combination with letrozole for the treatment of metastatic breast cancer.


axitinib

An indazole substituted at position 3 by a 2-(pyridin-2-yl)vinyl group and at position 6 by a 2-(N-methylaminocarboxy)phenylsulfanyl group. Used for the treatment of advanced renal cell carcinoma after failure of a first line systemic treatment.


mugineic acid

An azetidinecarboxylic acid that is the parent of the class of mugineic acids.


A methyladenosine in which the methyl group is located at position 2 on the adenine ring.


A furan having a nitro group at position 5 and a carboxamido group in turn  bearing a long-chain multifunctional N-alkyl group at position 2.


1,4'-bipiperidine-1'-carboxylic acid

A monocarboxylic acid resulting from the formal condensation of the amino group of 1,4'-bipiperidine with carbonic acid.


chaetoglocin A

A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a (2E)-1-hydroxybut-2-en-2-yl group at position 6, a hydroxymethyl group at position 5 and a methoxy group at position 4. It has been isolated from the solid-fermentation culture of Chaetomium globosum and has been shown to exhibit antibacterial activity.


hydroxymethylpyridine

Any member of the class of  pyridines carrying a hydroxymethyl substituent at unspecified position.


phencyclidine

A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group.  Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.


S-ROLIPRAM

The (S)-enantiomer of rolipram.


difurfuryl ether

A member of the class of furans that is furan which is substituted by a (furan-2-ylmethoxy)methyl group at position 2.


propylthiouracil

A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group.


A member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK.


A benzodioxine that is idazoxan substituted at position 2 by a methoxy group.


A member of the class of furans that is furan substituted by methyl, acetyl and methyl groups at positions 2, 3 and 5, respectively.


An aminopyrimidine in which a pyrimidine core carries amino substituents at positions 2, 4 and 6.


name: 4-(3-methoxyanilino)-2-methyl-5-oxo-1-phenyl-2-pyrrolecarboxylic acid ethyl ester


(R)-ethosuximide

The (R)-enantiomer of ethosuximide.


purine deoxyribonucleoside

A deoxyribonucleoside containing a purine base.


pirfenidone

A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis.


name: 5-ethyl-2-[[[3-(4-morpholinyl)-4-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester


RIMSULFURON

A  N-sulfonylurea that is N-carbamoyl-3-(ethylsulfonyl)pyridine-2-sulfonamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen atom.


name: 4-(2-furanyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester


tunicamycin B3

A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by an 13-methyltetradecanoyl fatty acyl substituent on the amino group of the tunicamine moiety.


A pyrimidine 2'-deoxyribonucleoside that is 2'-deoxyuridine in which the hydrogen at position 5 has been replaced by a 2-aminoethyl group. It is a thymidine hypermodification replacing 30% of thymidine in the DNA of the Pseudomonas phage M6.


An N-acylglycine in which the acyl group is specified as 4-pyridylacetyl.


CAERULOMYCIN K

A pyridine alkaloid that is 2-phenylpyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.


A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2H-pyran-4-yl and (m-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the epsilon isoform of casein kinase 1 (CK1epsilon).


An N-glycosyl compound that is kinetin in which an alpha-D-glucopyranosyl residue is attached at position N-9.


triazolines

Molecules containing a triazoline skeleton.


telbivudine

A pyrimidine 2'-deoxyribonucleoside that is the L-enantiomer of thymine. A synthetic thymidine nucleoside analogue with activity against HBV DNA polymerase.


name: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and 2-oxohenicosyl groups respectively.


isocyanuric acid

The keto tautomer of cyanuric acid.


A piperazine-2-carboxamide having (S)-configuration.


name: 1-(5-isoquinolinylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester


karetazan

A member of the class of 4-pyridones that is N-ethyl-4-pyridone that is substituted at positions 2, 3, and 6 by p-chlorophenyl, carboxy, and methyl groups, respectively. It is used (particularly as its potassium salt, known as karetazan-potassium) as a chemical hybridisation agent for commercial hybrid seed production. It is not approved for use within the European Union.


tellurophene

A five-membered monocyclic heteroarene composed of four CH units and one tellurium atom. The parent of the class of tellurophenes.


eszopiclone

The (5S)- (active) enantiomer of zopiclone. Unlike almost all other hypnotic sedatives, which are approved only for the relief of short-term (6-8 weeks) insomnia, eszopiclone is approved by the U.S. Food and Drug Administration for long-term use.


glutaric anhydride

A cyclic dicarboxylic anhydride that is oxane which carries oxo groups at positions 2 and 6. It is used as an intermediate in the production of pharmaceuticals, corrosion inhibitors, and polymers (E.g. epoxy polyesters).


NORARECOLINE

The methyl ester of guvacine.


(-)-anaferine

A piperidine alkaloid that is piperidine substituted by a 2-oxo-3-[(2R)-piperidin-2-yl]propyl group at position 2.


tunicamycin C1

A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 14-methylpentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety.


dihydrodipicolinic acid

A dicarboxylic acid in which the carboxylic acid groups are at the 2 and 6 positions of a dihydropyridine.


A pyrimidine 2'-deoxyribonucleoside that is 2'-deoxycytidine having a cyano group in the 2'-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors.


furosemide

A  chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.


lincomycin

A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis.


A purine 2'-deoxyribonucleoside consisting of 2'-deoxyguanosine having a 1-carboxyethyl group attached at the N(2)-position.


pyrandione

Any pyran compound that contains an unsaturated six-membered ring with one ring oxygen atom and two oxo substituents.


thiamine hydrochloride dihydrate

A hydrate that is the dihydrate form of thiamine hydrochloride.


name: 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester