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]
Protein | Definition | Taxonomy |
---|---|---|
Rap guanine nucleotide exchange factor 4 | A 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 1 | A 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 isoform | A serine/threonine-protein phosphatase 2B catalytic subunit beta isoform that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16298] | Homo sapiens (human) |
Compound | Definition | Classes | Roles |
---|---|---|---|
cysteine sulfinic acid | cysteine sulfinic acid: metabolite of sulfur-containing amino acids | ||
pentachlorophenol | PENTA: structure given in first source | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
1-aminobenzotriazole | |||
bay-k-8644 | 3-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 | |
benzbromarone | benzbromarone : 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 phthalate | spatozoate: structure in first source | benzyl ester | |
bay h 4502 | 1-[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 | |
celecoxib | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
chlorpyrifos | chlorpyrifos : 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 |
clofoctol | diarylmethane | ||
clotrimazole | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | |
diazinon | diazinon : 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 phthalate | dibutyl 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 |
dichlorophen | Dichlorophen: 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 | |
dipyridamole | dipyridamole : 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 |
disulfoton | disulfoton : 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 | |||
famprofazone | famprofazone: structure given in first source; ingredient of Gewodin; methamphetamine is a metabolite of this cpd | pyrazoles; ring assembly | |
felodipine | felodipine : 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 |
guaiazulene | guaiazulene: structure | sesquiterpene | |
hexachlorophene | hexachlorophene : 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 acid | Iopanoic Acid: Radiopaque medium used as diagnostic aid. | monocarboxylic acid | |
isoconazole | 1-{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 acid | dodecanoic 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 171883 | LY 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 |
methoxychlor | Methoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects. | organochlorine insecticide | |
Meticrane | thiochromane | ||
miconazole | 1-[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 | |
mitotane | Mitotane: 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 | |
nabumetone | nabumetone : 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 |
niclosamide | niclosamide : 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 |
nimodipine | nimodipine : 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 |
nitrendipine | nitrendipine : 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 1619 | NS 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 |
perphenazine | perphenazine : 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 |
phenolphthalein | Phenolphthalein: 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 | |
moxonidine | moxonidine: structure given in first source | organohalogen compound; pyrimidines | |
pinacidil | Pinacidil: 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 | |
prochlorperazine | prochlorperazine : 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 |
ritanserin | ritanserin : 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 propionate | androgen : 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 a | 3,3',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-phenanthrenequinone | 9,10-phenanthrenequinone: structure | phenanthrenes | |
diisobutyl phthalate | diisobutyl 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 chloride | 3,6-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 salt | antibacterial agent; antiseptic drug; carcinogenic agent; histological dye; intercalator |
1-naphthylphenylamine | N-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structure | naphthalenes | |
6-phenyl-1,3,5-triazine-2,4-diamine | 6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source | ||
pyronine | pyronin 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 |
phenidone | phenidone: photographic developer; RN given refers to parent cpd; structure | ||
2,4-d n-butyl ester | |||
fentichlor | fentichlor: 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-aminoazotoluene | o-Aminoazotoluene: An azo dye with carcinogenic properties. | ||
clorophene | |||
3-tert-butyl-4-hydroxyanisole | 3-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-propylphthalate | di-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-dihydroxybenzophenone | 2,4-dihydroxybenzophenone: structure in first source | benzophenones | |
2-Phenylethyl 2-aminobenzoate | benzoate ester | ||
neozone | N-phenyl-2-naphthalenamine: structure in first source | naphthalenes | |
sterogenol | cetylpyridinium 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-dimethoxybenzene | 1,4-dimethoxybenzene: structure given in first source | dimethoxybenzene | |
benz(c)acridine | organonitrogen heterocyclic compound; polycyclic heteroarene | ||
2,3-dimercaptosuccinic acid | |||
osthol | osthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first source | botanical anti-fungal agent; coumarins | metabolite |
flavanone | flavanone : 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 acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite | |
dibromsalicil | dibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic | ||
evernic acid | evernic acid: RN given refers to parent cpd | carbonyl compound | |
chlorotrianisene | Chlorotrianisene: A powerful synthetic, non-steroidal estrogen. | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
pentabromophenol | |||
dicarbethoxydihydrocollidine | 3,5-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-chlorobenzophenone | 2-amino-5-chlorbenzophenone: structure given in first source | ||
estradiol valerate | steroid ester | ||
rimantadine hydrochloride | organic molecular entity | ||
digoxigenin | digoxigenin : 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-octylphenol | 4-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 | phenols | metabolite; surfactant; xenoestrogen |
calotropin | calotropin: structure in first source | cardenolide glycoside | |
7-hydroxychlorpromazine | 7-hydroxychlorpromazine: RN given refers to parent cpd | phenothiazines | |
4-(octyloxy)benzoic acid | benzoic acids | ||
3-aminofluoranthene | 3-aminofluoranthene: structure given in first source | ||
2-amino-2',5-dichlorobenzophenone | 2-amino-2',5-dichlorobenzophenone: structure given in first source | ||
1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane | 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane: a flame retardant and androgen receptor agonist; structure in first source | ||
cladribine | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent | |
aseanostatin p5 | 12-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-22634 | alkaloid | ||
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine | flavin | ||
2-bromo-N-phenylbenzamide | benzamides | ||
fenamiphos | organophosphate insecticide; organophosphate nematicide; phosphoramidate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
rafoxanide | Rafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations. | ||
pbde 99 | 2,4-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'-hexachlorobiphenyl | hexachlorobiphenyl | ||
isovelleral | isovelleral: structure given in first source | aldehyde | |
lonidamine | lonidamine : 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 |
Nanaomycin | benzoisochromanequinone | ||
closantel | closantel : 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-2678 | XI-006: diminishes MDM4 promoter activity; structure in first source | ||
butoconazole nitrate | butoconazole 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 | |
triclabendazole | aromatic ether | ||
lovastatin | lovastatin : 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 |
chaetochromin | chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A | ||
bambuterol hydrochloride | bambuterol 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 | |||
clopidogrel | clopidogrel : 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 benzoate | carbonyl compound | ||
daunorubicin hydrochloride | anthracycline | ||
ursolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite | |
betulinic acid | hydroxy 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 acid | N-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, (+-)-isomer | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | ||
physodic acid | physodic acid: lichen constituent | carbonyl compound | |
repaglinide | piperidines | ||
toxoflavin | toxoflavin : 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 |
tangeretin | pentamethoxyflavone : 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 | pentamethoxyflavone | antineoplastic agent; plant metabolite |
miconazole nitrate | miconazole 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 nitrate | econazole 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 sulfoxide | bithionol sulfoxide: RN given refers to parent cpd; structure | ||
cresolphthalein | cresolphthalein: structure | ||
naphthyl phenyl ketone | naphthyl phenyl ketone: structure in first source | ||
magnolol | biphenyls | ||
honokiol | biphenyls | ||
coumarin 153 | coumarin 153: structure in first source | 7-aminocoumarins | fluorochrome |
berberrubine | berberrubine: 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 black | methyl fluorone black: structure | ||
1,10-phenanthroline-5,6-dione | 1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source | ||
lobaric acid | lobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first source | carbonyl compound | |
stictic acid | stictic acid: antioxidant from lichen, Usnea articulata; structure in first source | aromatic ether | |
oxazolidin-2-one | oxazolidin-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-phenylisatogen | 2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure | ||
1-pyrenebutyrate | 1-pyrenebutyrate: fluorescent probe; RN given refers to 1-pyrenebutyrate | ||
4-phenyl-1,2,4-triazoline-3,5-dione | 4-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 B | sennoside 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 | |||
nimustine | nimustine hydrochloride : A hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors. | hydrochloride | antineoplastic agent |
totarol | totarol: structure given in first source; isolated from the bark of Podocarpus nagi | diterpenoid | metabolite |
coumarin 7 | coumarin 7: structure in first source | ||
diffractaic acid | difractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first source | carbonyl compound | |
osajin | osajin: from Maclura pomifera | isoflavanones | |
2,2',4,4'-tetrabromodiphenyl ether | aromatic ether; organobromine compound | ||
4-chloro-3-(2,4-dihydroxyphenylazo)-2-hydroxybenzene-1-sulfonic acid | |||
6-methoxyflavanone | 6-methoxyflavanone: structure in first source | ||
2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione | 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source | ||
n-benzoyl-l-phenylalaninol | N-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 | |||
karanjin | karanjin: structure given in first source | extended flavonoid | |
4'-methoxyflavanone | 4'-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 218872 | CL 218872: shows specific action on benzodiazepine receptors; structure | pyridazines; ring assembly | |
carboxyamido-triazole | carboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201 | ||
pterosin b | pterosin B: structure in first source | ||
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | 3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist | ||
teomorfolin | teomorfolin: structure given in first source | ||
12-phenyllauric acid | |||
schizandrin a | schizandrin A: the major lignan, 2-9%, of Schisandra plant; has hepatoprotective, antioxidant, and antineoplastic activities | ||
tetrahydroharmine | |||
epiberberine | epiberberine: isolated in plants of Coptis from China | ||
8-(4-benzenesulfonylamino)quinoline | 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | ||
f 1459 | F 1459: RN given refers to HCl | ||
sb 216763 | indoles; maleimides | ||
moracin m | moracin M: has been isolated from Morus alba L.; structure in first source | benzofurans | |
glucuronolactone | |||
1,1,3,3-tetraphenylurea | ureas | ||
1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol | 1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol: suppresses Jak2-mediated pathologic cell growth; structure in first source | ||
raubasine | |||
oxolamine citrate | |||
esi-05 | ESI-05: an Epac inhibitor; structure in first source | ||
diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | diethyl 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) ester | naphthalenes | ||
nsc228155 | |||
1-(benzenesulfonyl)indole | sulfonamide | ||
nsc-260594 | NSC-260594: structure in first source | ||
1-(2,6-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea | ureas | ||
[4-(4-hydroxyphenyl)phenyl]-phenylmethanone | benzophenones | ||
1,3(2h,4h)-isoquinolinedione | 1,3(2H,4H)-isoquinolinedione: structure in first source | ||
graveoline | graveoline: structure in first source | quinolines | |
4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid | trihydroxyanthraquinone | ||
nsc668394 | |||
nsc354961 | |||
saquinavir | saquinavir : 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]acetate | carbotricyclic compound; carboxylic ester; cyclic ketone | ||
doxorubicin hydrochloride | anthracycline | ||
resveratrol | trans-resveratrol : A resveratrol in which the double bond has E configuration. | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
oleic acid | oleic 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 acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
t0901317 | T0901317: an LXRalpha and LXRbeta agonist | ||
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
meso-dihydroguaiaretic acid | meso-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-methoxyphaseollidin | 1-methoxyphaseollidin: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source | pterocarpans | |
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole | benzoxazole | ||
8-isopentenylnaringenin | 8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first source | flavanones | |
1-[(4-fluoro-1-naphthalenyl)sulfonyl]piperidine | naphthalenes; sulfonic acid derivative | ||
2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline | 2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd | ||
N-benzylquinazolin-4-amine | N-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-one | benzodiazepine | ||
idarubicin hydrochloride | anthracycline | ||
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid butyl ester | dichlorobenzene | ||
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | alkylbenzene | ||
2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4h-chromene | 2-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-pyranone | morpholines | ||
2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester | 2-methoxyethyl ester; N-arylpiperazine | ||
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester | quinoxaline derivative | ||
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl ester | quinoxaline derivative | ||
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester | leucine derivative | ||
4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one | coumarins | ||
Glyceryl lactopalmitate | pyrazoles; ring assembly | ||
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide | pyrrolopyrimidine | ||
dienestrol | dienestrol : 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'-tetrahydroxystilbene | 3,3',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-methoxybenzamide | benzamides | ||
1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazine | piperazines | ||
5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester | aryl sulfide | ||
4-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester | benzoate ester | ||
Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate | thiophenecarboxylic acid | ||
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide | aromatic amide; furans | ||
4-methyl-2-(2-naphthalenyl)-1-phthalazinone | phthalazines | ||
6-methyl-4-(trifluoromethyl)-7,8,9,10-tetrahydropyrano[2,3-f]quinolin-2-one | pyridochromene | ||
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione | benzimidazoles | ||
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide | sulfonamide | ||
2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine | 1,3,5-triazines; organic sulfide | ||
2-(3-cyano-4,5,6-trimethyl-1H-pyridin-2-ylidene)propanedinitrile | monoterpenoid | ||
N-(3-acetamidophenyl)-2-chlorobenzamide | benzamides | ||
1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole | benzimidazoles | ||
2-(2,4-dimethylphenyl)-5-benzotriazolamine | triazoles | ||
N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide | isoindoles | ||
2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dione | cyclic ketone; indanones | ||
4,5-dimethylcyclopenta[c]quinolizine-1,2-dicarboxylic acid dimethyl ester | quinolizines | ||
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl ester | quinolines | ||
1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole | tetrazoles | ||
2-(2-chlorophenyl)-5-(2-methylpropylamino)-4-oxazolecarbonitrile | 1,3-oxazoles | ||
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide | anilide | ||
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamide | sulfonamide | ||
2-(2-fluorophenyl)-5-(4-methyl-1-piperidinyl)-4-oxazolecarbonitrile | 1,3-oxazoles | ||
1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7H-purine-2,6-dione | piperazines | ||
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide | piperidines | ||
2-(2,3-dimethylphenoxy)-N-(2-oxo-1-benzopyran-6-yl)acetamide | coumarins | ||
2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl ester | benzoate ester | ||
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol | aromatic amine; tertiary amino compound | ||
2,2-dimethyl-N-[[2-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]propanamide | thioureas | ||
umi-77 | UMI-77: an Mcl-1 inhibitor; structure in first source | ||
3-amino-N-(2-fluorophenyl)-6-(phenylmethyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamide | aromatic amide | ||
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanone | thienopyridine | ||
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamide | naphthalenes | ||
N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide | benzamides | ||
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanamine | benzodioxoles | ||
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide | aromatic amide | ||
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide | C-nitro compound | ||
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamide | aryl sulfide | ||
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone | aromatic ketone | ||
4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-N,N-dimethylbenzenesulfonamide | sulfonamide | ||
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone | N-arylpiperazine | ||
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide | benzamides | ||
4-(2,6-dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine | organonitrogen 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-pyrimidinecarbonitrile | pyrimidines | ||
4-[4-(2,4-dichlorophenyl)-2-thiazolyl]benzoic acid | benzoic acids | ||
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-indolyl]acetic acid methyl ester | indole-3-acetic acids | ||
3-amino-N-(4-methylphenyl)-5-(methylthio)-1,2,4-triazole-4-carboxamide | ureas | ||
5-methoxy-4-[(2-methoxyphenyl)thio]-2-phenylpyrimidine | aryl sulfide | ||
N-(4-bromo-2,6-dimethylphenyl)-2-methoxybenzamide | benzamides | ||
epalrestat | epalrestat : 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 acid | nitronaphthalene | ||
1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid | piperidines | ||
chlorogenic acid | caffeoylquinic 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-quinazolinone | quinazolines | ||
5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine | pyrazoles; ring assembly | ||
5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester | benzofurans | ||
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenol | aromatic amine | ||
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline | aromatic ether | ||
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine | N,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-phenylurea | quinoxaline derivative | ||
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile | aromatic ether | ||
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide | quinoxaline derivative | ||
7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indole | sulfonamide | ||
2,4-dibromo-6-[(3-quinolinylamino)methyl]phenol | aminoquinoline | ||
1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester | indolecarboxamide | ||
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester | dihydropyridine | ||
3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one | benzoxazole | ||
N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide | piperazines | ||
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine | phenylpyridine | ||
[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanone | piperazines | ||
N-[(4-methoxyphenyl)methyl]-2-methyl-4,9-dioxo-3-benzo[f]benzofurancarboxamide | naphthofuran | ||
1-(4-bromo-2-chlorophenyl)-3-(3-methyl-2-pyridinyl)thiourea | thioureas | ||
2-butoxy-7-hydroxy-9-fluorenone | fluorenes | ||
4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester | dihydropyridine | ||
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | flavones; tert-butyl ester | ||
4E2RCat | organic molecular entity | ||
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide | biphenyls | ||
3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester | benzamides | ||
cyclohexanecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester | piperidines | ||
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamide | benzamides | ||
4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester | indoles | ||
2-(4-methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazole | methoxybenzenes | ||
2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamide | organochlorine compound | ||
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide | organonitrogen compound; organooxygen compound | ||
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester | benzoate ester; phenols | ||
4-[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one | quinolines | anticoronaviral agent | |
N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide | benzodioxoles | ||
2-chloro-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester | aromatic ketone | ||
5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1-piperidinyl)thieno[2,3-d]pyrimidine | dimethoxybenzene; thienopyrimidine | ||
N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamide | quinoxaline derivative | ||
5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester | thiophenecarboxylic acid | ||
2-(4-methyl-1-piperidinyl)-N-[2-(phenylthio)phenyl]acetamide | amino acid amide | ||
3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester | thiophenecarboxylic acid | ||
4-chlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester | phenylpyridine | ||
4-oxo-2-(trifluoromethyl)-1H-thieno[3,4-b]pyridine-7-carboxylic acid methyl ester | thienopyridine | ||
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide | aromatic ether | ||
4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester | piperidines | ||
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamide | aromatic amide | ||
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide | piperidines | ||
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide | aromatic ether; C-nitro compound | ||
3-[4-(4-chlorophenyl)-1-piperazinyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione | piperazines | ||
1-hexadecyl-3-methylimidazolium bromide | 1-hexadecyl-3-methylimidazolium bromide: structure in first source | ||
6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester | pyrimidinecarboxylic acid | ||
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea | thioureas | ||
[(2S)-1,3-dimethyl-3'-nitro-1'-spiro[cyclohepta[d]imidazol-3-ium-2,4'-cyclohexa-2,5-diene]ylidene]-dioxidoammonium | imidazolines | ||
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide | monoterpenoid | ||
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one | organonitrogen compound; organooxygen compound | ||
1,3,8-trimethyl-5,10-diphenylpyrimido[1,2]pyrrolo[4,5-b]pyridazine-2,4-dione | pyridazines; ring assembly | ||
eskazine | |||
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide | hydroxyquinoline | ||
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamide | hydroxyquinoline | ||
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione | isoquinolines | ||
N-[3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]benzamide | benzodiazepine | ||
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid | benzamides | ||
2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one | quinazolines | ||
1-(4-morpholinyl)-2-(4-phenylphenoxy)-1-propanone | biphenyls | ||
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone | benzoic acids | ||
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole | imidazoles | ||
1-(2-furanyl)-3-(phenylthio)-3-thiophen-2-yl-1-propanone | aryl sulfide | ||
2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide | quinoxaline 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 acid | triterpenoid | ||
1-(4-nitrophenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
trimethoprim | |||
n-(2-naphthalene)sulfonyl-dl-tryptophan | |||
9-hydroxyiminofluorene-2,7-disulfonamide | fluorenes | ||
2-[[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester | thiophenecarboxylic acid | ||
2-(2-bromophenyl)-2,3-dihydro-1H-perimidine | naphthalenes | ||
2-furanyl-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanone | furoic acid | ||
9-chloro-6-methylindolo[3,2-b]quinoxaline | quinoxaline derivative | ||
5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dione | indoles | ||
9-(2-ethoxy-3-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one | quinolines | ||
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinyl)amino]-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide | organonitrogen compound; organooxygen compound | ||
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone | imidazoles | ||
6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine | quinazolines | ||
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine | quinazolines | ||
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine | quinazolines | ||
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester | quinolines | ||
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid | peptide | ||
3,4-dihydro-2H-quinolin-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone | quinolines | ||
4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-2H-quinolin-1-yl)methanone | quinolines | ||
3-[[oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl ester | aromatic amide | ||
N-[2-(2-ethyl-1-piperidinyl)ethyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide | amino acid amide | ||
1-[[1-(2-methoxyanilino)-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxamide | isoquinolines | ||
N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine | pyrimidines | ||
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester | C-nitro compound; thiophenes | ||
gw 7647 | GW 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]methanesulfonamide | sulfonamide | ||
2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzohydrazide | triazoles | ||
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide | piperidines | ||
(S)-4',5,7-Trihydroxy-6-prenylflavanone | flavanones | ||
7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde | azaphilone | ||
1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methylphenyl)thiourea | thioureas | ||
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione | aromatic ether | ||
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazole | imidazoles | ||
2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetic acid | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamide | piperazines | ||
2-hydroxy-2-pentyl-N'-phenylheptanehydrazide | phenylhydrazines | ||
4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide | 1,4-naphthoquinones | ||
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | dimethoxybenzene | anticoronaviral agent | |
5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester | indolyl carboxylic acid | ||
3-(3,4-dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e-4',3'-f]pyrimidinone | pyridopyrimidine | ||
1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazole | methoxybenzenes | anticoronaviral agent | |
or486 | OR486: structure given in first source | ||
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one | benzimidazoles | ||
4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one | benzodiazepine | ||
(5,7-dibromo-2-benzofuranyl)-(3,5-dimethyl-1-piperidinyl)methanone | benzofurans | ||
2-(1,3-benzoxazol-2-ylthio)-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone | benzoxazole | ||
N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide | piperazines | ||
2-[(6-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)thio]-N-(2-phenylethyl)acetamide | 1-benzopyran | ||
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | benzenes | ||
N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide | sulfonamide | ||
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide | quinolines | ||
1-pyrrolidinyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidinyl]methanone | piperidines | ||
N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamide | aromatic amide | ||
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazole | benzimidazoles | ||
jhw 015 | indolecarboxamide | ||
2-[4-(dimethylamino)phenyl]azobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester | azobenzenes | ||
2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamide | acetamides | ||
5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamide | indoles | ||
1-(5-nitro-2-thiophenyl)piperidine | C-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 ester | thiophenecarboxylic acid | ||
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine | C-nitro compound | ||
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester | aromatic ether | ||
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester | benzoate ester; phenols | ||
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone | toluenes | anticoronaviral agent | |
2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2,6-diethylphenyl)acetamide | benzimidazoles | ||
LSM-1925 | organic heterotricyclic compound; organooxygen compound | ||
isovitexin | C-glycosyl compound; flavonoids | ||
N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]acetamide | imidazolidine-2,4-dione | ||
N-(5-methyl-3-isoxazolyl)-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamide | quinolines | ||
2-(4-benzoyl-1-piperazinyl)-N-(2-phenylphenyl)propanamide | biphenyls | ||
3-(1-methyl-2-benzimidazolyl)-1-(3-methylphenyl)-2-pyrrolo[3,2-b]quinoxalinamine | pyrroles | ||
5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamine | aminopyridine | ||
2-Chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | pyrazolidines | anticoronaviral agent | |
4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one | pyrazoles; ring assembly | ||
2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl ester | pyranopyranone | ||
5,6-dimethyl-1-octyl-4-benzimidazolamine | benzimidazoles | ||
4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamide | benzamides | ||
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide | benzamides | ||
myricetin | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | |
Licarin A | benzofurans | ||
ellagic acid | catechols; 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 | |
isotretinoin | isotretinoin : 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 acid | antineoplastic agent; keratolytic drug; teratogenic agent |
irsogladine | dichlorobenzene | ||
terbinafine hydrochloride | terbinafine 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-oleoylethanolamine | N-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 |
acitretin | acitretin : 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-one | isoindoles | ||
3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl ester | isoindoles | ||
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanone | isoquinolines | ||
2-[6-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester | alpha-amino acid ester | ||
4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
3-(2-ethoxyanilino)-2-(2-furanylmethyl)-3H-isoindol-1-one | isoindoles | ||
su 6656 | SU 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-geranyloxypsoralen | terpene lactone | ||
Squamatic acid | carbonyl compound | ||
semaxinib | semaxanib : 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 b | thunberginol B: isolated from Hydrangeae dulcis folium; structure given in first source | ||
semilicoisoflavone b | semilicoisoflavone 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-hydroxyisoflavones | EC 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] acetate | steroid ester | ||
methylbenzethonium chloride | alkylbenzene | ||
quinaldine red | quinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure | ||
metochalcone | metochalcone: structure | ||
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one | organic heterobicyclic compound; organonitrogen heterocyclic compound | ||
3-amino-5-(4-bromophenyl)-4-pyridazinecarbonitrile | pyridazines; ring assembly | ||
hesperidin | flavonoids; glycoside | ||
homatropine hydrobromide, (endo-(+-)-isomer) | |||
sclerotiorin | sclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first source | azaphilone | |
columbianadin | columbianadin : 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 alcohol | O-geranylsinapyl alcohol: structure given in first source; isolated from the bark of Fagara rhetza, an Indonesian medicinal plant | ||
kolavenic acid | kolavenic 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)acetamide | piperazines | ||
fluphenazine | |||
l-165041 | 4-(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 acid | acridines | ||
[4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-(1-piperidinyl)methanone | N-acylpiperidine | ||
6-ethyl-8-methyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide | dibenzothiazepine | ||
corosolic acid | triterpenoid | metabolite | |
4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol | imidazoles | ||
chlorhexidine | chlorhexidine : 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 b | lissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion. | organic sodium salt | fluorescent 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 | |||
macelignan | macelignan: an NSAID with antioxidant, free radical scavenging, and neuroprotective activities; structure in first source | lignan | |
5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one | extended flavonoid | ||
2-(4-chlorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
10-isobutyryloxy-8,9-epoxythymol isobutyrate | 10-isobutyryloxy-8,9-epoxythymol isobutyrate: structure in first source | benzoate ester; phenols | |
2-(4-butan-2-ylanilino)-3-pyridinecarbonitrile | alkylbenzene | ||
4-methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] ester | methoxybenzoic acid | ||
chlorhexidine hydrochloride | |||
malyngamide A | dicarboximide | metabolite | |
3,6-diamino-10-methylacridinium chloride hydrochloride | 3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. | hydrochloride | antibacterial agent; antiseptic drug; carcinogenic agent; intercalator |
2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenol | aromatic 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 ester | 1-benzothiophenes | ||
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) ester | leucine derivative | ||
(2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide | benzyl 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-diol | triterpenoid | ||
3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamide | quinazolines | ||
(2R,4S)-6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol | benzyl ether | ||
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone | diarylmethane | ||
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone | methoxybenzenes; phenols | ||
(3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one | pyrrolidines | ||
2-[(1R)-1-carboxy-2-(1-naphthalenyl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acid | phthalimides | ||
6-(3,5-dimethyl-4-isoxazolyl)-N-[(2-ethoxyphenyl)methyl]-4-quinazolinamine | quinazolines | ||
amorfrutin a | amorfrutin A: an antidiabetic agent that inhibits NF-kappaB activation; structure in first source | stilbenoid | |
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide | benzothiazoles | ||
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | acetamides | ||
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | acetamides | ||
4'-epichaetoviridin A | 4'-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 anhydrous | sodium 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. | hydrate | analgesic; 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 sodium | cefmetazole sodium : An organic sodium salt that is the sodium salt of cefmetazole. | organic sodium salt | antimicrobial agent |
cyclic amp, monosodium salt | |||
cefamandole nafate | cefamandole sodium : An organic sodium salt that is the sodium salt of cefamandole. | organic sodium salt | antibacterial drug |
acid blue 129 | |||
leu-ser-glu-ala-leu | Leu-Ser-Glu-Ala-Leu: a putative calpastatin mimetic | ||
2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl ester | quinazolines | ||
[5-[(3,4-difluorophenoxy)methyl]-3-isoxazolyl]-(3-propoxy-1-piperidinyl)methanone | N-acylpiperidine | ||
N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamide | benzofurans | ||
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide | piperidines | ||
(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-one | aliphatic alcohol | ||
LSM-1873 | organic heterotricyclic compound; organooxygen compound | ||
LSM-1315 | organic heterotricyclic compound; organooxygen compound | ||
bi 201335 | faldaprevir: inhibits hepatitis C virus NS3 protease | ||
2-(trifluoromethylsulfonyl)-6,11-dihydro-5H-dibenzo[1,3-e-1',2'-f][7]annulen-11-ol | organic tricyclic compound | ||
5-(2-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide | hydroxyquinoline | ||
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 acid | benzoic 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]urea | sulfonamide | ||
2-[[1-[(3-bromophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamide | indoles | ||
N-[(5-bromo-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]propanamide | hydroxyquinoline | ||
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide | hydroxyquinoline | ||
2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine | triazoles | ||
5-(2,5-dichlorophenyl)-N-(2,6-dimethoxyphenyl)-2-furancarboxamide | aromatic amide; furans | ||
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide | aromatic amide; furans | ||
(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)-3-piperidinyl]methanone | aromatic ketone | ||
sphaeropsidin a | sphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first source | gamma-lactone | metabolite |
lfm a13 | LFM-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-quinolinecarbohydrazide | aromatic amide; quinolines | ||
8-bromocyclic gmp, sodium salt | sodium 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 salt | muscle relaxant; protein kinase G agonist |
galloflavin | galloflavin: structure in first source | ||
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid | benzoic acids |