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calcium-ion regulated exocytosis

Definition

Target type: biologicalprocess

The release of intracellular molecules (e.g. hormones, matrix proteins) contained within a membrane-bounded vesicle by fusion of the vesicle with the plasma membrane of a cell, induced by a rise in cytosolic calcium-ion levels. [GOC:go_curators]

Proteins (3)

ProteinDefinitionTaxonomy
Rap guanine nucleotide exchange factor 4A Rap guanine nucleotide exchange factor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WZA2]Homo sapiens (human)
Neurogenic locus notch homolog protein 1A neurogenic locus notch homolog protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46531]Homo sapiens (human)
Serine/threonine-protein phosphatase 2B catalytic subunit beta isoformA serine/threonine-protein phosphatase 2B catalytic subunit beta isoform that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16298]Homo sapiens (human)

Compounds (520)

CompoundDefinitionClassesRoles
cysteine sulfinic acidcysteine sulfinic acid: metabolite of sulfur-containing amino acids
pentachlorophenolPENTA: structure given in first sourcearomatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes
human xenobiotic metabolite
1-aminobenzotriazole
bay-k-86443-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, Methyl ester: A dihydropyridine derivative, which, in contrast to NIFEDIPINE, functions as a calcium channel agonist. The compound facilitates Ca2+ influx through partially activated voltage-dependent Ca2+ channels, thereby causing vasoconstrictor and positive inotropic effects. It is used primarily as a research tool.

Bay-K-8644 : A racemate comprising equimolar amounts of (R)- and (S)-Bay-K-8644

methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate : A pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6.
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
benzbromaronebenzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.

Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.
1-benzofurans;
aromatic ketone
uricosuric drug
butylbenzyl phthalatespatozoate: structure in first sourcebenzyl ester
bay h 45021-[biphenyl-4-yl(phenyl)methyl]imidazole : A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1.

bifonazole : A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections.
biphenyls;
imidazoles
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
chlorpyrifoschlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.

Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.
chloropyridine;
organic thiophosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
clofoctoldiarylmethane
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
diazinondiazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.

Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.
organic thiophosphate;
pyrimidines
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
dibutyl phthalatedibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.

Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.
diester;
phthalate ester
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
dichlorophenDichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.)bridged diphenyl fungicide;
diarylmethane
dipyridamoledipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.

Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752)
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disulfotondisulfoton : An organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate.

Disulfoton: An organothiophosphate insecticide.
organic thiophosphate;
organothiophosphate insecticide
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
efavirenz
famprofazonefamprofazone: structure given in first source; ingredient of Gewodin; methamphetamine is a metabolite of this cpdpyrazoles;
ring assembly
felodipinefelodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.

Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels.
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
guaiazuleneguaiazulene: structuresesquiterpene
hexachlorophenehexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.

Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797)
bridged diphenyl fungicide;
polyphenol;
trichlorobenzene
acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
iopanoic acidIopanoic Acid: Radiopaque medium used as diagnostic aid.monocarboxylic acid
isoconazole1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1.

isoconazole : A racemate comprising equimolar amounts of (R)- and (S)-isoconazole. A broad-spectrum antibacterial drug used (as its nitrate salt) for treatment of dermatomycoses.
dichlorobenzene;
ether;
imidazoles
celanide
lauric aciddodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.medium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antibacterial agent;
plant metabolite
ly 171883LY 171883: structure in first source; leukotriene receptor antagonist

tomelukast : A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.
acetophenones;
aromatic ether;
phenols;
tetrazoles
anti-asthmatic drug;
leukotriene antagonist
methoxychlorMethoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects.organochlorine insecticide
Meticranethiochromane
miconazole1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.

miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.

Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.
dichlorobenzene;
ether;
imidazoles
mitotaneMitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression.diarylmethane
nabumetonenabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs.

Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS.
methoxynaphthalene;
methyl ketone
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
niclosamideniclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.

Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48)
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide
anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nimodipinenimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.

Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nitrendipinenitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.

Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
ns 1619NS 1619 : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).

NS 1619: structure given in first source
(trifluoromethyl)benzenes;
benzimidazoles;
phenols
potassium channel opener
perphenazineperphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.

Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenolphthaleinPhenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.phenols
moxonidinemoxonidine: structure given in first sourceorganohalogen compound;
pyrimidines
pinacidilPinacidil: A guanidine that opens POTASSIUM CHANNELS producing direct peripheral vasodilatation of the ARTERIOLES. It reduces BLOOD PRESSURE and peripheral resistance and produces fluid retention. (Martindale The Extra Pharmacopoeia, 31st ed)pyridines
prochlorperazineprochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.

Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612)
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines
alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
ritanserinritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action.

Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure.
organofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
testosterone propionateandrogen : A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.

Testosterone Propionate: An ester of TESTOSTERONE with a propionate substitution at the 17-beta position.
steroid ester
tetrabromobisphenol a3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.

tetrabromobisphenol A: a brominated flame retardant
brominated flame retardant;
bromobisphenol
9,10-phenanthrenequinone9,10-phenanthrenequinone: structurephenanthrenes
diisobutyl phthalatediisobutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol.diester;
phthalate ester
plasticiser;
PPAR modulator;
teratogenic agent
n,n'-diethylcarbanilide
acriflavine chloride3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine.organic chloride saltantibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator
1-naphthylphenylamineN-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structurenaphthalenes
6-phenyl-1,3,5-triazine-2,4-diamine6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source
pyroninepyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method.

Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.
iminium salt;
organic chloride salt
histological dye
phenidonephenidone: photographic developer; RN given refers to parent cpd; structure
2,4-d n-butyl ester
fentichlorfentichlor: structure

fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine.
aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol
antiinfective agent;
drug allergen
o-aminoazotolueneo-Aminoazotoluene: An azo dye with carcinogenic properties.
clorophene
3-tert-butyl-4-hydroxyanisole3-tert-butyl-4-hydroxyanisole : An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.aromatic ether;
phenols
antioxidant;
human xenobiotic metabolite
di-n-propylphthalatedi-n-propylphthalate: RN & Structure given in first source

dipropyl phthalate : A phthalate ester that is the dipropyl ester of benzene-1,2-dicarboxylic acid.
diester;
phthalate ester
diallyl phthalate
2,4-dihydroxybenzophenone2,4-dihydroxybenzophenone: structure in first sourcebenzophenones
2-Phenylethyl 2-aminobenzoatebenzoate ester
neozoneN-phenyl-2-naphthalenamine: structure in first sourcenaphthalenes
sterogenolcetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion.

hexadecylpyridinium bromide: structure in first source
bromide salt;
pyridinium salt
antiseptic drug;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
surfactant
1,4-dimethoxybenzene1,4-dimethoxybenzene: structure given in first sourcedimethoxybenzene
benz(c)acridineorganonitrogen heterocyclic compound;
polycyclic heteroarene
2,3-dimercaptosuccinic acid
ostholosthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first sourcebotanical anti-fungal agent;
coumarins
metabolite
flavanoneflavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4.

flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source
flavanones
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite
dibromsalicildibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic
evernic acidevernic acid: RN given refers to parent cpdcarbonyl compound
chlorotrianiseneChlorotrianisene: A powerful synthetic, non-steroidal estrogen.chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
pentabromophenol
dicarbethoxydihydrocollidine3,5-diethoxycarbonyl-1,4-dihydrocollidine : A dihydropyridine that is 2,4,6-trimethyl-1,4-dihydropyridine substituted by ethoxycarbonyl groups at positions 3 and 5.

Dicarbethoxydihydrocollidine: 1,4-Dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylic acid diethyl ester.
dihydropyridine;
ethyl ester
hepatic steatosis inducing agent
2-amino-5-chlorobenzophenone2-amino-5-chlorbenzophenone: structure given in first source
estradiol valeratesteroid ester
rimantadine hydrochlorideorganic molecular entity
digoxigenindigoxigenin : A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.

Digoxigenin: 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.
12beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol
hapten;
plant metabolite
4-octylphenol4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.

4-octylphenol: xenoestrogen
phenolsmetabolite;
surfactant;
xenoestrogen
calotropincalotropin: structure in first sourcecardenolide glycoside
7-hydroxychlorpromazine7-hydroxychlorpromazine: RN given refers to parent cpdphenothiazines
4-(octyloxy)benzoic acidbenzoic acids
3-aminofluoranthene3-aminofluoranthene: structure given in first source
2-amino-2',5-dichlorobenzophenone2-amino-2',5-dichlorobenzophenone: structure given in first source
1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane: a flame retardant and androgen receptor agonist; structure in first source
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
aseanostatin p512-methyltetradecanoic acid : A branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent.

aseanostatin P5: from actinomycetes; inhibits myeloperoxidase release from human polymorphonuclear leukocytes; structure given in first source; RN given refers to cpd without isomeric designation
branched-chain saturated fatty acid;
long-chain fatty acid
LSM-22634alkaloid
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineflavin
2-bromo-N-phenylbenzamidebenzamides
fenamiphosorganophosphate insecticide;
organophosphate nematicide;
phosphoramidate ester
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
rafoxanideRafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations.
pbde 992,4-dibromophenyl 2,4,5-tribromophenyl ether : A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.polybromodiphenyl ether
2,4,5,2',4',5'-hexachlorobiphenylhexachlorobiphenyl
isovelleralisovelleral: structure given in first sourcealdehyde
lonidaminelonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.

lonidamine: structure
dichlorobenzene;
indazoles;
monocarboxylic acid
antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
Nanaomycinbenzoisochromanequinone
closantelclosantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections.

closantel: structure

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively.
aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
s-2678XI-006: diminishes MDM4 promoter activity; structure in first source
butoconazole nitratebutoconazole nitrate : An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
triclabendazolearomatic ether
lovastatinlovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).

Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
chaetochrominchaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A
bambuterol hydrochloridebambuterol hydrochloride : The hydrochloride salt of bambuterol. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.carbamate ester;
hydrochloride;
phenylethanolamines
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent
quinpirole hydrochloride
clopidogrelclopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks.

Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.
methyl ester;
monochlorobenzenes;
thienopyridine
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
topotecan hydrochloride
Eugenyl benzoatecarbonyl compound
daunorubicin hydrochlorideanthracycline
ursolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
betulinic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
diacetylfluorescein
n-acetylaspartic acidN-acetyl-L-aspartic acid : An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.N-acetyl-L-amino acid;
N-acyl-L-aspartic acid
antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite
sulconazole, mononitrate, (+-)-isomerconazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
physodic acidphysodic acid: lichen constituentcarbonyl compound
repaglinidepiperidines
toxoflavintoxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.

toxoflavin: azapteridine antibiotic; structure
carbonyl compound;
pyrimidotriazine
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
tangeretinpentamethoxyflavone : A methoxyflavone that is flavone substituted by a five methoxy groups.

tangeretin : A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8.

tangeretin: structure given in first source; from citrus plants; inhibits invasion of MO4 mouse cells into embryonic chick heart in vitro
pentamethoxyflavoneantineoplastic agent;
plant metabolite
miconazole nitratemiconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-miconazole nitrate. An antifungal used for the treatment of athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.
econazole nitrateeconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-econazole nitrate. Used to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.
bithionol sulfoxidebithionol sulfoxide: RN given refers to parent cpd; structure
cresolphthaleincresolphthalein: structure
naphthyl phenyl ketonenaphthyl phenyl ketone: structure in first source
magnololbiphenyls
honokiolbiphenyls
coumarin 153coumarin 153: structure in first source7-aminocoumarinsfluorochrome
berberrubineberberrubine: RN refers to chloride salt; a protoberberine alkaloid antitumor agent which exhibits topoisomerase II poison activity as well as catalytic inhibition activity; structure in first source
methyl fluorone blackmethyl fluorone black: structure
1,10-phenanthroline-5,6-dione1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source
lobaric acidlobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first sourcecarbonyl compound
stictic acidstictic acid: antioxidant from lichen, Usnea articulata; structure in first sourcearomatic ether
oxazolidin-2-oneoxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.

oxazolidinone : An oxazolidine containing one or more oxo groups.

Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.
carbamate ester;
oxazolidinone
metabolite
n-benzylmaleimide
2-phenylisatogen2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure
1-pyrenebutyrate1-pyrenebutyrate: fluorescent probe; RN given refers to 1-pyrenebutyrate
4-phenyl-1,2,4-triazoline-3,5-dione4-phenyl-1,2,4-triazoline-3,5-dione: structure given in first source
2-butyl-6-(butylamino)-1h-benzo(de)isoquinoline-1,3(2h)-dione
pc-796
sennoside Bsennoside B : A member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'.oxo dicarboxylic acid;
sennosides
prochlorperazine edisylate salt
nimustinenimustine hydrochloride : A hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors.hydrochlorideantineoplastic agent
totaroltotarol: structure given in first source; isolated from the bark of Podocarpus nagiditerpenoidmetabolite
coumarin 7coumarin 7: structure in first source
diffractaic aciddifractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first sourcecarbonyl compound
osajinosajin: from Maclura pomiferaisoflavanones
2,2',4,4'-tetrabromodiphenyl etheraromatic ether;
organobromine compound
4-chloro-3-(2,4-dihydroxyphenylazo)-2-hydroxybenzene-1-sulfonic acid
6-methoxyflavanone6-methoxyflavanone: structure in first source
2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source
n-benzoyl-l-phenylalaninolN-benzoyl-L-phenylalaninol : A member of the class of benzamides resulting from the formal condensation of the carboxy group of benzoic acid with the amino group of L-phenylalaninol.

N-benzoyl-L-phenylalaninol: isolated from culture filtrate and mycelium af Aspergillus flavipes ATCC 11013; structure
wr 159412
karanjinkaranjin: structure given in first sourceextended flavonoid
4'-methoxyflavanone4'-methoxyflavanone : The parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position.4'-methoxyflavanones
cl 218872CL 218872: shows specific action on benzodiazepine receptors; structurepyridazines;
ring assembly
carboxyamido-triazolecarboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201
pterosin bpterosin B: structure in first source
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist
teomorfolinteomorfolin: structure given in first source
12-phenyllauric acid
schizandrin aschizandrin A: the major lignan, 2-9%, of Schisandra plant; has hepatoprotective, antioxidant, and antineoplastic activities
tetrahydroharmine
epiberberineepiberberine: isolated in plants of Coptis from China
8-(4-benzenesulfonylamino)quinoline8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source
f 1459F 1459: RN given refers to HCl
sb 216763indoles;
maleimides
moracin mmoracin M: has been isolated from Morus alba L.; structure in first sourcebenzofurans
glucuronolactone
1,1,3,3-tetraphenylureaureas
1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol: suppresses Jak2-mediated pathologic cell growth; structure in first source
raubasine
oxolamine citrate
esi-05ESI-05: an Epac inhibitor; structure in first source
diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylatediethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate: structure in first source
acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) esternaphthalenes
nsc228155
1-(benzenesulfonyl)indolesulfonamide
nsc-260594NSC-260594: structure in first source
1-(2,6-dichlorophenyl)-3-(6-methyl-3-pyridinyl)ureaureas
[4-(4-hydroxyphenyl)phenyl]-phenylmethanonebenzophenones
1,3(2h,4h)-isoquinolinedione1,3(2H,4H)-isoquinolinedione: structure in first source
graveolinegraveoline: structure in first sourcequinolines
4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acidtrihydroxyanthraquinone
nsc668394
nsc354961
saquinavirsaquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.

Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.
L-asparagine derivative;
quinolines
antiviral drug;
HIV protease inhibitor
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetatecarbotricyclic compound;
carboxylic ester;
cyclic ketone
doxorubicin hydrochlorideanthracycline
resveratroltrans-resveratrol : A resveratrol in which the double bond has E configuration.resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
oleic acidoleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.

Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed)
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
t0901317T0901317: an LXRalpha and LXRbeta agonist
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
meso-dihydroguaiaretic acidmeso-dihydroguaiaretic acid : A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta.guaiacols;
lignan
plant metabolite
1-methoxyphaseollidin1-methoxyphaseollidin: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first sourcepterocarpans
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazolebenzoxazole
8-isopentenylnaringenin8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first sourceflavanones
1-[(4-fluoro-1-naphthalenyl)sulfonyl]piperidinenaphthalenes;
sulfonic acid derivative
2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd
N-benzylquinazolin-4-amineN-benzylquinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4.benzenes;
quinazolines;
secondary amino compound
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-onebenzodiazepine
idarubicin hydrochlorideanthracycline
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid butyl esterdichlorobenzene
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4h-chromene2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4H-chromene: induces apoptosis; structure in first source
5-[4-morpholinyl(oxo)methyl]-2-pyranonemorpholines
2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester2-methoxyethyl ester;
N-arylpiperazine
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl esterquinoxaline derivative
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl esterquinoxaline derivative
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl esterleucine derivative
4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-onecoumarins
Glyceryl lactopalmitatepyrazoles;
ring assembly
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamidepyrrolopyrimidine
dienestroldienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.

Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.
3,3',4,5'-tetrahydroxystilbene3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer

piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.
catechols;
polyphenol;
resorcinols;
stilbenol
antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
N-(3-acetamidophenyl)-4-methoxybenzamidebenzamides
1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazinepiperazines
5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl esteraryl sulfide
4-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl esterbenzoate ester
Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylatethiophenecarboxylic acid
N-(2,5-dimethylphenyl)-2-benzofurancarboxamidearomatic amide;
furans
4-methyl-2-(2-naphthalenyl)-1-phthalazinonephthalazines
6-methyl-4-(trifluoromethyl)-7,8,9,10-tetrahydropyrano[2,3-f]quinolin-2-onepyridochromene
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thionebenzimidazoles
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamidesulfonamide
2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine1,3,5-triazines;
organic sulfide
2-(3-cyano-4,5,6-trimethyl-1H-pyridin-2-ylidene)propanedinitrilemonoterpenoid
N-(3-acetamidophenyl)-2-chlorobenzamidebenzamides
1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazolebenzimidazoles
2-(2,4-dimethylphenyl)-5-benzotriazolaminetriazoles
N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamideisoindoles
2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dionecyclic ketone;
indanones
4,5-dimethylcyclopenta[c]quinolizine-1,2-dicarboxylic acid dimethyl esterquinolizines
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl esterquinolines
1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazoletetrazoles
2-(2-chlorophenyl)-5-(2-methylpropylamino)-4-oxazolecarbonitrile1,3-oxazoles
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamideanilide
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamidesulfonamide
2-(2-fluorophenyl)-5-(4-methyl-1-piperidinyl)-4-oxazolecarbonitrile1,3-oxazoles
1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7H-purine-2,6-dionepiperazines
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamidepiperidines
2-(2,3-dimethylphenoxy)-N-(2-oxo-1-benzopyran-6-yl)acetamidecoumarins
2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl esterbenzoate ester
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenolaromatic amine;
tertiary amino compound
2,2-dimethyl-N-[[2-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]propanamidethioureas
umi-77UMI-77: an Mcl-1 inhibitor; structure in first source
3-amino-N-(2-fluorophenyl)-6-(phenylmethyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamidearomatic amide
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanonethienopyridine
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamidenaphthalenes
N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamidebenzamides
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanaminebenzodioxoles
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamidearomatic amide
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamideC-nitro compound
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamidearyl sulfide
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanonearomatic ketone
4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-N,N-dimethylbenzenesulfonamidesulfonamide
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanoneN-arylpiperazine
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamidebenzamides
4-(2,6-dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidineorganonitrogen heterocyclic compound
2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide(trifluoromethyl)benzenes
4-(4-methyl-1-piperazinyl)-2,6-diphenyl-5-pyrimidinecarbonitrilepyrimidines
4-[4-(2,4-dichlorophenyl)-2-thiazolyl]benzoic acidbenzoic acids
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-indolyl]acetic acid methyl esterindole-3-acetic acids
3-amino-N-(4-methylphenyl)-5-(methylthio)-1,2,4-triazole-4-carboxamideureas
5-methoxy-4-[(2-methoxyphenyl)thio]-2-phenylpyrimidinearyl sulfide
N-(4-bromo-2,6-dimethylphenyl)-2-methoxybenzamidebenzamides
epalrestatepalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy.monocarboxylic acid;
thiazolidines
EC 1.1.1.21 (aldehyde reductase) inhibitor
3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acidnitronaphthalene
1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acidpiperidines
chlorogenic acidcaffeoylquinic acid: Antiviral Agent; structure in first source

chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.
cinnamate ester;
tannin
food component;
plant metabolite
2-butoxy-3-phenyl-4-quinazolinonequinazolines
5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinaminepyrazoles;
ring assembly
5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl esterbenzofurans
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenolaromatic amine
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylanilinearomatic ether
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amineN,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and dibutylnitrilo groups, respectively.pyridines;
quinazolines;
tertiary amino compound
1-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-3-phenylureaquinoxaline derivative
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrilearomatic ether
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamidequinoxaline derivative
7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indolesulfonamide
2,4-dibromo-6-[(3-quinolinylamino)methyl]phenolaminoquinoline
1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl esterindolecarboxamide
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl esterdihydropyridine
3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-onebenzoxazole
N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamidepiperazines
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridinephenylpyridine
[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanonepiperazines
N-[(4-methoxyphenyl)methyl]-2-methyl-4,9-dioxo-3-benzo[f]benzofurancarboxamidenaphthofuran
1-(4-bromo-2-chlorophenyl)-3-(3-methyl-2-pyridinyl)thioureathioureas
2-butoxy-7-hydroxy-9-fluorenonefluorenes
4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl esterdihydropyridine
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl esterflavones;
tert-butyl ester
4E2RCatorganic molecular entity
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamidebiphenyls
3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl esterbenzamides
cyclohexanecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] esterpiperidines
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamidebenzamides
4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] esterindoles
2-(4-methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazolemethoxybenzenes
2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamideorganochlorine compound
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamideorganonitrogen compound;
organooxygen compound
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl esterbenzoate ester;
phenols
4-[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-onequinolinesanticoronaviral agent
N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamidebenzodioxoles
2-chloro-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] esteraromatic ketone
5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1-piperidinyl)thieno[2,3-d]pyrimidinedimethoxybenzene;
thienopyrimidine
N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamidequinoxaline derivative
5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl esterthiophenecarboxylic acid
2-(4-methyl-1-piperidinyl)-N-[2-(phenylthio)phenyl]acetamideamino acid amide
3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl esterthiophenecarboxylic acid
4-chlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] esterphenylpyridine
4-oxo-2-(trifluoromethyl)-1H-thieno[3,4-b]pyridine-7-carboxylic acid methyl esterthienopyridine
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamidearomatic ether
4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] esterpiperidines
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamidearomatic amide
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamidepiperidines
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamidearomatic ether;
C-nitro compound
3-[4-(4-chlorophenyl)-1-piperazinyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dionepiperazines
1-hexadecyl-3-methylimidazolium bromide1-hexadecyl-3-methylimidazolium bromide: structure in first source
6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl esterpyrimidinecarboxylic acid
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthioureathioureas
[(2S)-1,3-dimethyl-3'-nitro-1'-spiro[cyclohepta[d]imidazol-3-ium-2,4'-cyclohexa-2,5-diene]ylidene]-dioxidoammoniumimidazolines
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamidemonoterpenoid
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-oneorganonitrogen compound;
organooxygen compound
1,3,8-trimethyl-5,10-diphenylpyrimido[1,2]pyrrolo[4,5-b]pyridazine-2,4-dionepyridazines;
ring assembly
eskazine
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamidehydroxyquinoline
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamidehydroxyquinoline
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dioneisoquinolines
N-[3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]benzamidebenzodiazepine
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acidbenzamides
2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]onequinazolines
1-(4-morpholinyl)-2-(4-phenylphenoxy)-1-propanonebiphenyls
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanonebenzoic acids
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazoleimidazoles
1-(2-furanyl)-3-(phenylthio)-3-thiophen-2-yl-1-propanonearyl sulfide
2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
(4As,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidtriterpenoid
1-(4-nitrophenyl)sulfonyl-2-benzimidazolaminesulfonamide
trimethoprim
n-(2-naphthalene)sulfonyl-dl-tryptophan
9-hydroxyiminofluorene-2,7-disulfonamidefluorenes
2-[[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl esterthiophenecarboxylic acid
2-(2-bromophenyl)-2,3-dihydro-1H-perimidinenaphthalenes
2-furanyl-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanonefuroic acid
9-chloro-6-methylindolo[3,2-b]quinoxalinequinoxaline derivative
5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dioneindoles
9-(2-ethoxy-3-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-onequinolines
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinyl)amino]-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamideorganonitrogen compound;
organooxygen compound
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanoneimidazoles
6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinaminequinazolines
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinaminequinazolines
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinaminequinazolines
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl esterquinolines
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acidpeptide
3,4-dihydro-2H-quinolin-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanonequinolines
4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-2H-quinolin-1-yl)methanonequinolines
3-[[oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl esteraromatic amide
N-[2-(2-ethyl-1-piperidinyl)ethyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamideamino acid amide
1-[[1-(2-methoxyanilino)-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxamideisoquinolines
N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinaminepyrimidines
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] esterC-nitro compound;
thiophenes
gw 7647GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.

GW 7647: a PPAR-alpha agonist; structure in first source
aryl sulfide;
monocarboxylic acid;
ureas
PPARalpha agonist
N-[4-[2-(2-ethyl-1-oxobutyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamidesulfonamide
2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzohydrazidetriazoles
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamidepiperidines
(S)-4',5,7-Trihydroxy-6-prenylflavanoneflavanones
7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehydeazaphilone
1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methylphenyl)thioureathioureas
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thionearomatic ether
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazoleimidazoles
2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetic acidorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamidepiperazines
2-hydroxy-2-pentyl-N'-phenylheptanehydrazidephenylhydrazines
4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide1,4-naphthoquinones
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onedimethoxybenzeneanticoronaviral agent
5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl esterindolyl carboxylic acid
3-(3,4-dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e-4',3'-f]pyrimidinonepyridopyrimidine
1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazolemethoxybenzenesanticoronaviral agent
or486OR486: structure given in first source
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-onebenzimidazoles
4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-onebenzodiazepine
(5,7-dibromo-2-benzofuranyl)-(3,5-dimethyl-1-piperidinyl)methanonebenzofurans
2-(1,3-benzoxazol-2-ylthio)-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanonebenzoxazole
N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamidepiperazines
2-[(6-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)thio]-N-(2-phenylethyl)acetamide1-benzopyran
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thionebenzenes
N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamidesulfonamide
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamidequinolines
1-pyrrolidinyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidinyl]methanonepiperidines
N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamidearomatic amide
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazolebenzimidazoles
jhw 015indolecarboxamide
2-[4-(dimethylamino)phenyl]azobenzoic acid [2-(1-azepanyl)-2-oxoethyl] esterazobenzenes
2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamideacetamides
5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamideindoles
1-(5-nitro-2-thiophenyl)piperidineC-nitro compound;
thiophenes
2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl esterthiophenecarboxylic acid
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamineC-nitro compound
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl esteraromatic ether
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] esterbenzoate ester;
phenols
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanonetoluenesanticoronaviral agent
2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2,6-diethylphenyl)acetamidebenzimidazoles
LSM-1925organic heterotricyclic compound;
organooxygen compound
isovitexinC-glycosyl compound;
flavonoids
N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]acetamideimidazolidine-2,4-dione
N-(5-methyl-3-isoxazolyl)-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamidequinolines
2-(4-benzoyl-1-piperazinyl)-N-(2-phenylphenyl)propanamidebiphenyls
3-(1-methyl-2-benzimidazolyl)-1-(3-methylphenyl)-2-pyrrolo[3,2-b]quinoxalinaminepyrroles
5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamineaminopyridine
2-Chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onepyrazolidinesanticoronaviral agent
4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-onepyrazoles;
ring assembly
2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl esterpyranopyranone
5,6-dimethyl-1-octyl-4-benzimidazolaminebenzimidazoles
4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamidebenzamides
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamidebenzamides
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
Licarin Abenzofurans
ellagic acidcatechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol
antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
isotretinoinisotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.

Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
irsogladinedichlorobenzene
terbinafine hydrochlorideterbinafine hydrochloride : A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.allylamine antifungal drug;
hydrochloride
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor
n-oleoylethanolamineN-oleoylethanolamine: ceramidase inhibitor

oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1
EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
acitretinacitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.

Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate.
acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid
keratolytic drug
3-[(5-chloro-2-pyridinyl)amino]-2-(2-pyridinyl)-3H-isoindol-1-oneisoindoles
3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl esterisoindoles
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanoneisoquinolines
2-[6-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl esteralpha-amino acid ester
4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl esteramidobenzoic acid
3-(2-ethoxyanilino)-2-(2-furanylmethyl)-3H-isoindol-1-oneisoindoles
su 6656SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source

SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.
8-geranyloxypsoralenterpene lactone
Squamatic acidcarbonyl compound
semaxinibsemaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.olefinic compound;
oxindoles;
pyrroles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
thunberginol bthunberginol B: isolated from Hydrangeae dulcis folium; structure given in first source
semilicoisoflavone bsemilicoisoflavone B : A member of the class of 7-hydroxyisoflavones that is 2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one substituted by hydroxy groups at positions 5, 7 and 8'. It has been isolated from Glycyrrhiza uralensis.

semilicoisoflavone B: isolated from Glycyrrhiza uralensis; structure in first source
7-hydroxyisoflavonesEC 1.1.1.21 (aldehyde reductase) inhibitor;
plant metabolite
[(10R,13S,17R)-17-Ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetatesteroid ester
methylbenzethonium chloridealkylbenzene
quinaldine redquinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure
metochalconemetochalcone: structure
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound
3-amino-5-(4-bromophenyl)-4-pyridazinecarbonitrilepyridazines;
ring assembly
hesperidinflavonoids;
glycoside
homatropine hydrobromide, (endo-(+-)-isomer)
sclerotiorinsclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first sourceazaphilone
columbianadincolumbianadin : An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol.

columbianadin: furanocoumarin isolated from Peucedanum palustre; RN given refers to columbianadin, (S-(Z))-isomer
alpha,beta-unsaturated carboxylic ester;
furanocoumarin
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
o-geranylsinapyl alcoholO-geranylsinapyl alcohol: structure given in first source; isolated from the bark of Fagara rhetza, an Indonesian medicinal plant
kolavenic acidkolavenic acid: from Polyalthia longifolia; structure given in first source; RN given refers to (1S-(1alpha(E),2beta,4abeta,8aalpha))-isomer; RN for cpd without isomeric designation not avail 3/92
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2-methylphenoxy)acetamidepiperazines
fluphenazine
l-1650414-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function.aromatic ketone
2-[[6-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acidacridines
[4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-(1-piperidinyl)methanoneN-acylpiperidine
6-ethyl-8-methyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamidedibenzothiazepine
corosolic acidtriterpenoidmetabolite
4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenolimidazoles
chlorhexidinechlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.

Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.
biguanides;
monochlorobenzenes
antibacterial agent;
antiinfective agent
lissamine rhodamine blissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion.organic sodium saltfluorescent probe;
fluorochrome;
histological dye
pimaric acid
emergil
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer
macelignanmacelignan: an NSAID with antioxidant, free radical scavenging, and neuroprotective activities; structure in first sourcelignan
5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-oneextended flavonoid
2-(4-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
10-isobutyryloxy-8,9-epoxythymol isobutyrate10-isobutyryloxy-8,9-epoxythymol isobutyrate: structure in first sourcebenzoate ester;
phenols
2-(4-butan-2-ylanilino)-3-pyridinecarbonitrilealkylbenzene
4-methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] estermethoxybenzoic acid
chlorhexidine hydrochloride
malyngamide Adicarboximidemetabolite
3,6-diamino-10-methylacridinium chloride hydrochloride3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride.hydrochlorideantibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator
2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenolaromatic amine
(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester1-benzothiophenes
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) esterleucine derivative
(2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamidebenzyl alcohols
(3S,4aR,6aR,6bR,8aS,11S,12aS,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,14-dioltriterpenoid
3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamidequinazolines
(2R,4S)-6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diolbenzyl ether
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanonediarylmethane
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanonemethoxybenzenes;
phenols
(3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-onepyrrolidines
2-[(1R)-1-carboxy-2-(1-naphthalenyl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acidphthalimides
6-(3,5-dimethyl-4-isoxazolyl)-N-[(2-ethoxyphenyl)methyl]-4-quinazolinaminequinazolines
amorfrutin aamorfrutin A: an antidiabetic agent that inhibits NF-kappaB activation; structure in first sourcestilbenoid
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamidebenzothiazoles
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
4'-epichaetoviridin A4'-epichaetoviridin A : An azaphilone that is the 4'-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum.azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol
Chaetomium metabolite
meclofenamate sodium anhydroussodium meclofenamate monohydrate : A hydrate that is the monohydrate of the sodium salt of meclofenamic acid. It is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.hydrateanalgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
cefmetazole sodiumcefmetazole sodium : An organic sodium salt that is the sodium salt of cefmetazole.organic sodium saltantimicrobial agent
cyclic amp, monosodium salt
cefamandole nafatecefamandole sodium : An organic sodium salt that is the sodium salt of cefamandole.organic sodium saltantibacterial drug
acid blue 129
leu-ser-glu-ala-leuLeu-Ser-Glu-Ala-Leu: a putative calpastatin mimetic
2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl esterquinazolines
[5-[(3,4-difluorophenoxy)methyl]-3-isoxazolyl]-(3-propoxy-1-piperidinyl)methanoneN-acylpiperidine
N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamidebenzofurans
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamidepiperidines
(1S,2R,4As,9aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-6-(hydroxymethyl)-1,2-dimethyl-3,4a,5,8,9,9a-hexahydro-2H-benzo[7]annulen-4-onealiphatic alcohol
LSM-1873organic heterotricyclic compound;
organooxygen compound
LSM-1315organic heterotricyclic compound;
organooxygen compound
bi 201335faldaprevir: inhibits hepatitis C virus NS3 protease
2-(trifluoromethylsulfonyl)-6,11-dihydro-5H-dibenzo[1,3-e-1',2'-f][7]annulen-11-olorganic tricyclic compound
5-(2-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
4-[[[(2S,3S)-10-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acidbenzoic acids
1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]ureasulfonamide
2-[[1-[(3-bromophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamideindoles
N-[(5-bromo-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]propanamidehydroxyquinoline
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridinetriazoles
5-(2,5-dichlorophenyl)-N-(2,6-dimethoxyphenyl)-2-furancarboxamidearomatic amide;
furans
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamidearomatic amide;
furans
(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)-3-piperidinyl]methanonearomatic ketone
sphaeropsidin asphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first sourcegamma-lactonemetabolite
lfm a13LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties.aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor
1-ethyl-4-hydroxy-2-oxo-N'-(1-oxodecyl)-3-quinolinecarbohydrazidearomatic amide;
quinolines
8-bromocyclic gmp, sodium saltsodium 8-bromo-3',5'-cyclic GMP : An organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.organic sodium saltmuscle relaxant;
protein kinase G agonist
galloflavingalloflavin: structure in first source
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acidbenzoic acids