Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
propionic acid | [no description available] | medium | 1 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
miconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
capsaicin | [no description available] | medium | 1 | 0 | | |
neotetrazolium | [no description available] | medium | 1 | 0 | | |
benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
fluorouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
tribromsalan | [no description available] | medium | 1 | 0 | salicylanilides | |
4'-bromosalicylanilide | [no description available] | medium | 2 | 0 | | |
3-nitropropionic acid | [no description available] | medium | 2 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
fluconazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
isoniazid | [no description available] | medium | 2 | 0 | carbohydrazide | antitubercular agent; drug allergen |
aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; phenols | antitubercular agent |
penicillin g | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
arylid | [no description available] | medium | 1 | 0 | | |
amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
levoplast | [no description available] | medium | 1 | 0 | C-nitro compound | |
hippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | human blood serum metabolite; uremic toxin |
xanthine | [no description available] | medium | 1 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
atrolactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | |
etofylline | [no description available] | medium | 1 | 0 | oxopurine | |
n-acetyltryptophan | [no description available] | medium | 1 | 0 | N-acetyl-amino acid; tryptophan derivative | metabolite |
ethacridine | [no description available] | medium | 1 | 0 | acridines | |
altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
2,5-di-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | |
cx546 | [no description available] | medium | 1 | 0 | | |
diphenhydramine | [no description available] | medium | 1 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
diuron | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
ibuprofen | [no description available] | medium | 2 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether; isoflavones | bone density conservation agent |
mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
nocodazole | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
piribedil | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
procainamide | [no description available] | medium | 1 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
prometone | [no description available] | medium | 1 | 0 | diamino-1,3,5-triazine; methoxy-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
propanil | [no description available] | medium | 1 | 0 | anilide; dichlorobenzene | herbicide |
sulfadimethoxine | [no description available] | medium | 1 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfamethazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
sulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
testosterone | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
2-hydroxybenzylbenzimidazole | [no description available] | medium | 1 | 0 | | |
etimizol | [no description available] | medium | 1 | 0 | | |
nifenalol | [no description available] | medium | 1 | 0 | C-nitro compound | |
bis(4-hydroxyphenyl)sulfone | [no description available] | medium | 1 | 0 | bisphenol; sulfone | endocrine disruptor; metabolite |
8-hydroxyquinoline-5-sulfonic acid | [no description available] | medium | 1 | 0 | | |
2-phenylbutyric acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | human xenobiotic metabolite |
4,4'-dimethoxybenzophenone | [no description available] | medium | 1 | 0 | | |
6-phenyl-1,3,5-triazine-2,4-diamine | [no description available] | medium | 1 | 0 | | |
quinaldic acid | [no description available] | medium | 1 | 0 | quinolinemonocarboxylic acid | human metabolite; Saccharomyces cerevisiae metabolite |
N-(2-methoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | acetamides; methoxybenzenes | |
fast red b | [no description available] | medium | 1 | 0 | | |
methylenebis(chloroaniline) | [no description available] | medium | 1 | 0 | chloroaniline | metabolite |
di-(4-aminophenyl)ether | [no description available] | medium | 1 | 0 | aromatic ether | |
diphenylguanidine | [no description available] | medium | 1 | 0 | guanidines | allergen |
4-Anilino-4-oxobutanoic acid | [no description available] | medium | 1 | 0 | anilide | |
mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
etryptamine | [no description available] | medium | 1 | 0 | indoles | |
sulfacetamide | [no description available] | medium | 1 | 0 | | |
cinchophen | [no description available] | medium | 1 | 0 | quinolines | |
2-aminobenzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles | |
carzenide | [no description available] | medium | 1 | 0 | sulfonamide | |
nitrilotriacetic acid | [no description available] | medium | 1 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
n-(2-cyanoethyl)-2-phenylethylamine | [no description available] | medium | 1 | 0 | | |
cyclooctane | [no description available] | medium | 1 | 0 | | |
triphenyltetrazolium chloride | [no description available] | medium | 1 | 0 | organic chloride salt | dye; indicator |
2,7-diacetylaminofluorene | [no description available] | medium | 1 | 0 | | |
3,4-pyridinedicarboxylic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | |
4-(benzoylamino)-2-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
tropic acid | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid | human xenobiotic metabolite |
8-hydroxy-7-iodo-5-quinolinesulfonic acid | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
1-acetylisatin | [no description available] | medium | 1 | 0 | indoledione | |
4-cumylphenol | [no description available] | medium | 1 | 0 | diarylmethane | |
5-methylisatin | [no description available] | medium | 1 | 0 | | |
2-hydrazinobenzothiazole | [no description available] | medium | 1 | 0 | | |
1,2,3-trimethoxybenzene | [no description available] | medium | 1 | 0 | methoxybenzenes | plant metabolite |
2-amino-5-chlorobenzophenone | [no description available] | medium | 1 | 0 | | |
diphenamid | [no description available] | medium | 1 | 0 | diarylmethane | |
4-(4-nitrobenzyl)pyridine | [no description available] | medium | 1 | 0 | | |
5-methyl-3-phenylisoxazole-4-carboxylic acid | [no description available] | medium | 1 | 0 | | |
2-acetylbenzofuran | [no description available] | medium | 1 | 0 | | |
pyrazon | [no description available] | medium | 1 | 0 | benzenes; organochlorine compound; primary amino compound; pyridazinone | environmental contaminant; herbicide; xenobiotic |
2-amino-5-nitrobenzophenone | [no description available] | medium | 1 | 0 | | |
(4-tert-Butyl-phenoxy)-acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
lenacil | [no description available] | medium | 1 | 0 | cyclopentapyrimidine | agrochemical; environmental contaminant; herbicide; xenobiotic |
chlordesmethyldiazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
2-amino-2',5-dichlorobenzophenone | [no description available] | medium | 1 | 0 | | |
2-(2'-hydroxyphenyl)benzimidazole | [no description available] | medium | 1 | 0 | | |
4-phthalimidobutyric acid | [no description available] | medium | 1 | 0 | | |
azabutyrone | [no description available] | medium | 1 | 0 | | |
2-(2-hydroxyphenyl)benzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles; phenols | geroprotector |
4,5-dichlorocatechol | [no description available] | medium | 1 | 0 | | |
n-butylbenzenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | neurotoxin; plant metabolite |
3-phenoxybenzoic acid | [no description available] | medium | 1 | 0 | phenoxybenzoic acid | human xenobiotic metabolite; marine xenobiotic metabolite |
2-(2-hydroxyethylmercapto)benzothiazole | [no description available] | medium | 1 | 0 | | |
carboxin | [no description available] | medium | 1 | 0 | anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
meturin | [no description available] | medium | 1 | 0 | | |
2-bromo-N-phenylbenzamide | [no description available] | medium | 1 | 0 | benzamides | |
4-chlorohippuric acid | [no description available] | medium | 1 | 0 | | |
4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | phenoxy herbicide |
2,5-dichloro-1,4-phenylenediamine | [no description available] | medium | 1 | 0 | | |
metribuzin | [no description available] | medium | 1 | 0 | 1,2,4-triazines; cyclic ketone; organic sulfide | agrochemical; environmental contaminant; herbicide; xenobiotic |
2,5-dimethyl-3-furancarboxanilide | [no description available] | medium | 1 | 0 | | |
moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
2-benzimidazolylguanidine | [no description available] | medium | 1 | 0 | aminoimidazole | |
diflubenzuron | [no description available] | medium | 1 | 0 | benzoylurea insecticide; monochlorobenzenes | insect sterilant |
pentafluorobenzoyl-n-phenylethylamine | [no description available] | medium | 1 | 0 | | |
thidiazuron | [no description available] | medium | 1 | 0 | ureas | |
phenthiazamine | [no description available] | medium | 1 | 0 | | |
5,5-diphenylbarbituric acid | [no description available] | medium | 1 | 0 | | |
3-acetamidobenzoic acid | [no description available] | medium | 1 | 0 | | |
dazoxiben hydrochloride | [no description available] | medium | 1 | 0 | | |
succinylsulfanilamide | [no description available] | medium | 1 | 0 | | |
benzylaminopurine | [no description available] | medium | 1 | 0 | 6-aminopurines | cytokinin; plant metabolite |
ciprofloxacin hydrochloride anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
src-820 r | [no description available] | medium | 1 | 0 | | |
n(4)-acetylsulfadiazine | [no description available] | medium | 1 | 0 | acetamides; pyrimidines; sulfonamide | marine xenobiotic metabolite |
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone | [no description available] | medium | 1 | 0 | | |
formetamide | [no description available] | medium | 1 | 0 | | |
isbufylline | [no description available] | medium | 1 | 0 | | |
phenylacetylglycine | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monocarboxylic acid; N-acylglycine | human metabolite; mouse metabolite |
N-benzoylanthranilic acid | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
butinoline | [no description available] | medium | 1 | 0 | diarylmethane | |
n-(2-carboxyphenyl)glycine | [no description available] | medium | 1 | 0 | | |
n,n-dimethyl-4-anisidine | [no description available] | medium | 1 | 0 | | |
n-benzoylpiperidine | [no description available] | medium | 1 | 0 | benzamides; N-acylpiperidine | |
2-phenylcyclopropanecarboxylic acid | [no description available] | medium | 1 | 0 | | |
n-demethylantipyrine | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine | [no description available] | medium | 1 | 0 | 1,2,4-triazines | |
2-amino-5-bromopyridine | [no description available] | medium | 1 | 0 | | |
n-benzoylalanine, (dl-ala)-isomer | [no description available] | medium | 1 | 0 | alanine derivative; N-acyl-amino acid | metabolite |
bicinchoninic acid | [no description available] | medium | 1 | 0 | | |
betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
benzoylpropionic acid | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid | hapten |
Evoxine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | [no description available] | medium | 1 | 0 | harmala alkaloid | |
N-Benzylphthalimide | [no description available] | medium | 1 | 0 | isoindoles | |
pyromellitic diimide | [no description available] | medium | 1 | 0 | | |
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane | [no description available] | medium | 1 | 0 | bisphenol | |
terephthalamide | [no description available] | medium | 1 | 0 | benzenedicarboxamide | |
3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl- | [no description available] | medium | 1 | 0 | | |
2-nitrophenylacetic acid | [no description available] | medium | 1 | 0 | C-nitro compound; phenylacetic acids | |
onychine | [no description available] | medium | 1 | 0 | | |
4'-methoxyflavone | [no description available] | medium | 1 | 0 | ether; flavonoids | |
1,3-diphenyl-2-aminopropane | [no description available] | medium | 1 | 0 | | |
2,2-diphenylpropionic acid | [no description available] | medium | 1 | 0 | | |
3,4-dimethoxyphenylacetamide | [no description available] | medium | 1 | 0 | | |
2-amino-5-bromobenzoic acid | [no description available] | medium | 1 | 0 | | |
2-(1H-benzimidazol-2-yl)aniline | [no description available] | medium | 1 | 0 | benzimidazoles; primary arylamine; substituted aniline | geroprotector |
N-Acetylhomoveratrylamine | [no description available] | medium | 1 | 0 | acetamides | |
2-chlorobenzenesulfonamide | [no description available] | medium | 1 | 0 | | |
4-nitrophenyl dimethylcarbamate | [no description available] | medium | 1 | 0 | | |
8-(4-tolylsulfonylamino)quinoline | [no description available] | medium | 1 | 0 | sulfonamide | |
5-methoxyindole-3-carbaldehyde | [no description available] | medium | 1 | 0 | indoles | |
2-oxo-1,2-dihydroquinoline-4-carboxylic acid | [no description available] | medium | 1 | 0 | quinolinemonocarboxylic acid | |
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | [no description available] | medium | 1 | 0 | beta-carbolines | |
pd 147953 | [no description available] | medium | 1 | 0 | | |
fenozan | [no description available] | medium | 1 | 0 | | |
5-phenylbarbituric acid | [no description available] | medium | 1 | 0 | | |
diethylpropion hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | appetite depressant |
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol | [no description available] | medium | 1 | 0 | | |
beta-hydroxyphenylalanine | [no description available] | medium | 1 | 0 | | |
3-(n-salicyloyl)amino-1,2,4-triazole | [no description available] | medium | 1 | 0 | | |
7-chloro-4-aminoquinoline | [no description available] | medium | 1 | 0 | aminoquinoline | |
acridine-9-carboxylic acid | [no description available] | medium | 1 | 0 | | |
1-phenazinecarboxylic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; monocarboxylic acid; phenazines | antifungal agent; antimicrobial agent; bacterial metabolite |
4,5-diphenyl-1,5-dihydroimidazol-2-one | [no description available] | medium | 1 | 0 | stilbenoid | |
2-hydroxy-1,2-bis(methoxyphenyl)ethanone | [no description available] | medium | 1 | 0 | | |
4-methyl-N-(phenylmethyl)benzenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
4-n-butylaminobenzoic acid | [no description available] | medium | 1 | 0 | aromatic amino acid | |
fluoren-9-ol | [no description available] | medium | 1 | 0 | | |
1-(2-carboxyethyl)uracil | [no description available] | medium | 1 | 0 | | |
1-benzylindole | [no description available] | medium | 1 | 0 | | |
2,3-bis(2-pyridinyl)quinoxaline | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol | [no description available] | medium | 1 | 0 | dichlorobenzene; hydroxybiphenyls | |
5-nitro-2-(1-piperidinyl)pyridine | [no description available] | medium | 1 | 0 | C-nitro compound | |
2-amino-5,7-dimethyl-1,8-naphthyridine | [no description available] | medium | 1 | 0 | | |
5-benzyloxytryptophan | [no description available] | medium | 1 | 0 | | |
2,5-diethoxy-4-morpholinoaniline | [no description available] | medium | 1 | 0 | | |
3-hydroxy-3-phenacyloxindole | [no description available] | medium | 1 | 0 | | |
carbobenzoxyphenylalanine, (dl-phe)-isomer | [no description available] | medium | 1 | 0 | | |
gamma-fagarine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
3-carboxymethyl-6-benzyl-2,5-diketopiperazine | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
4-fluorobenzenesulfonamide | [no description available] | medium | 1 | 0 | | |
emoxypine succinate | [no description available] | medium | 1 | 0 | | |
n-carbamyltryptophan | [no description available] | medium | 1 | 0 | | |
2,4,6-trimethoxyacetophenone | [no description available] | medium | 1 | 0 | | |
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole | [no description available] | medium | 1 | 0 | | |
4-methyoxybenzoyl-n-glycine | [no description available] | medium | 1 | 0 | N-acylglycine | |
5-ethoxy-2-ethylmercaptobenzimidazole | [no description available] | medium | 1 | 0 | | |
5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester | [no description available] | medium | 1 | 0 | | |
n-phenyliminodiacetic acid | [no description available] | medium | 1 | 0 | | |
teomorfolin | [no description available] | medium | 1 | 0 | | |
1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone | [no description available] | medium | 1 | 0 | benzodioxoles | |
n-(aminocarbonyl)-2-chlorobenzenesulfonamide | [no description available] | medium | 1 | 0 | | |
3-hydroxy-2-quinoxalinepropionic acid | [no description available] | medium | 1 | 0 | | |
8-(methylsulfonylamino)quinoline | [no description available] | medium | 1 | 0 | | |
n(4)-acetylsulfamonomethoxine | [no description available] | medium | 1 | 0 | | |
8-(4-benzenesulfonylamino)quinoline | [no description available] | medium | 1 | 0 | | |
methindione | [no description available] | medium | 1 | 0 | | |
3,4-dihydroxybenzophenone | [no description available] | medium | 1 | 0 | | |
gamma-propanol | [no description available] | medium | 1 | 0 | | |
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
isonicotinylamide gaba | [no description available] | medium | 1 | 0 | | |
5-fluorotryptamine monohydrochloride | [no description available] | medium | 1 | 0 | | |
4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide | [no description available] | medium | 1 | 0 | | |
3-(hydroxyacetyl)indole | [no description available] | medium | 1 | 0 | indoles | |
n-(4-aminophenylsulfonyl)morpholine | [no description available] | medium | 1 | 0 | | |
1H-indol-3-yl-(4-methoxyphenyl)methanone | [no description available] | medium | 1 | 0 | N-acylindole | |
2-amino-5-phenyl-1,3,4-thiadiazole | [no description available] | medium | 1 | 0 | | |
N-(1-phenylethyl)acetamide | [no description available] | medium | 1 | 0 | acetamides; secondary carboxamide | |
alpha-(trichloromethyl)-4-pyridineethanol | [no description available] | medium | 1 | 0 | pyridines | |
ml 204 | [no description available] | medium | 1 | 0 | | |
eudesmin | [no description available] | medium | 1 | 0 | | |
2-amino-4-methyl-3-nitropyridine | [no description available] | medium | 1 | 0 | | |
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline | [no description available] | medium | 1 | 0 | | |
n-acetylhistidine | [no description available] | medium | 1 | 0 | histidine derivative; N-acetyl-amino acid | |
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid | [no description available] | medium | 1 | 0 | acetamides | |
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea | [no description available] | medium | 1 | 0 | ureas | |
4-methoxyxanthone | [no description available] | medium | 1 | 0 | | |
N-(4-nitrophenyl)-2-phenoxyacetamide | [no description available] | medium | 1 | 0 | C-nitro compound | |
1-phenylindolin-2-one | [no description available] | medium | 1 | 0 | | |
1-(benzenesulfonyl)indole | [no description available] | medium | 1 | 0 | sulfonamide | |
2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile | [no description available] | medium | 1 | 0 | dihydropyridine | |
pifithrin mu | [no description available] | medium | 1 | 0 | benzenes | |
2-benzyloxybenzaldehyde | [no description available] | medium | 1 | 0 | | |
2-guanidine-4-methylquinazoline | [no description available] | medium | 1 | 0 | | |
N-phenylcarbamic acid 2-phenoxyethyl ester | [no description available] | medium | 1 | 0 | carbamate ester | |
3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol | [no description available] | medium | 1 | 0 | benzimidazoles | |
mequindox | [no description available] | medium | 1 | 0 | | |
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide | [no description available] | medium | 1 | 0 | diarylmethane | |
Girgensonine | [no description available] | medium | 1 | 0 | nitrile | |
Dubinidine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
N-[4-(methanesulfonamido)phenyl]acetamide | [no description available] | medium | 1 | 0 | sulfonamide | |
4-(2-oxazolo[4,5-b]pyridinyl)aniline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | |
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole | [no description available] | medium | 1 | 0 | benzoxazole | |
3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium | [no description available] | medium | 1 | 0 | pyridazines | |
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone | [no description available] | medium | 1 | 0 | substituted aniline | |
1-phenyl-4-pyrazolol | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide | [no description available] | medium | 1 | 0 | benzothiazoles | |
3-benzamido-2-benzofurancarboxamide | [no description available] | medium | 1 | 0 | benzofurans | |
N-[2-(4-methoxyphenyl)ethyl]acetamide | [no description available] | medium | 1 | 0 | acetamides | |
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide | [no description available] | medium | 1 | 0 | aromatic ether | |
2-(1H-indol-3-ylthio)acetic acid | [no description available] | medium | 1 | 0 | indoles | |
3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
3-Methylbenzofuran-2-carboxylic acid | [no description available] | medium | 1 | 0 | benzofurans | |
5-(3,4-dimethoxyphenyl)-2H-tetrazole | [no description available] | medium | 1 | 0 | tetrazoles | |
1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine | [no description available] | medium | 1 | 0 | piperazines | |
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
2-phenylindole-3-carbaldehyde | [no description available] | medium | 1 | 0 | | |
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide | |
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine | [no description available] | medium | 1 | 0 | C-nitro compound | |
3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline | [no description available] | medium | 1 | 0 | pyrimidines | |
7-methoxyisoflavone | [no description available] | medium | 1 | 0 | 7-methoxyisoflavones | |
LSM-32392 | [no description available] | medium | 1 | 0 | monoterpenoid | |
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol | [no description available] | medium | 1 | 0 | benzimidazoles | |
N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
3-acetamido-5-chloro-2-benzofurancarboxylic acid | [no description available] | medium | 1 | 0 | benzofurans | |
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
haplamine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine | [no description available] | medium | 1 | 0 | triazoles | |
2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone | [no description available] | medium | 1 | 0 | aromatic ketone | |
1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid | [no description available] | medium | 1 | 0 | quinolines | |
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline | [no description available] | medium | 1 | 0 | pyridines; pyrrolidines; quinazolines | |
scp 1 | [no description available] | medium | 1 | 0 | | |
N-(3-acetamidophenyl)-4-methoxybenzamide | [no description available] | medium | 1 | 0 | benzamides | |
N-(3-acetamidophenyl)-3-chlorobenzamide | [no description available] | medium | 1 | 0 | benzamides | |
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
N-(2-fluorophenyl)-4-phenylmethoxybenzamide | [no description available] | medium | 1 | 0 | benzamides | |
N-[4-(diethylamino)phenyl]-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
N-(2-furanylmethyl)-2-benzofurancarboxamide | [no description available] | medium | 1 | 0 | benzofurans | |
5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine | [no description available] | medium | 1 | 0 | aromatic amine; thiadiazoles | |
te 5 | [no description available] | medium | 1 | 0 | | |
2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide | [no description available] | medium | 1 | 0 | ureas | |
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine | [no description available] | medium | 1 | 0 | benzothiazoles | |
6-methylflavone | [no description available] | medium | 1 | 0 | | |
2-methoxy-N-(2-pyridinyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
2-chloro-N-(2-phenylethyl)benzamide | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide | [no description available] | medium | 1 | 0 | C-nitro compound | |
N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
tioxazafen | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; thiophenes | agrochemical; nematicide |
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide | [no description available] | medium | 1 | 0 | aromatic amide | |
1-(4-Methoxyphenyl)-2-nitroethylene | [no description available] | medium | 1 | 0 | methoxybenzenes | |
brd32048 | [no description available] | medium | 1 | 0 | methoxybenzenes; substituted aniline | |
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | [no description available] | medium | 1 | 0 | aromatic ether | |
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine | [no description available] | medium | 1 | 0 | imidazoles | |
5-(2-phenyl-4-triazolyl)-2H-tetrazole | [no description available] | medium | 1 | 0 | triazoles | |
N-cyclohexyl-2,3-dihydroindole-1-carboxamide | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide; benzenes; thienopyrimidine | |
2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone | [no description available] | medium | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide | [no description available] | medium | 1 | 0 | indolecarboxamide | |
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide | [no description available] | medium | 1 | 0 | benzamides | |
4-(1H-benzimidazol-2-yl)quinoline | [no description available] | medium | 1 | 0 | quinolines | |
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one | [no description available] | medium | 1 | 0 | aromatic ketone | |
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
N-(4-methoxyphenyl)-2-benzofurancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
2-(9h-xanthen-9-yl)-malonic acid | [no description available] | medium | 1 | 0 | xanthenes | |
1-(1,3-benzothiazol-2-yl)-3-phenylurea | [no description available] | medium | 1 | 0 | ureas | |
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one | [no description available] | medium | 1 | 0 | imidazoles | |
N-(4-acetamidophenyl)-2-bromobenzamide | [no description available] | medium | 1 | 0 | benzamides | |
4-bromo-N-phenacylbenzamide | [no description available] | medium | 1 | 0 | aromatic ketone | |
1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone | [no description available] | medium | 1 | 0 | indoles | |
N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide | [no description available] | medium | 1 | 0 | triazoles | |
N,N-dimethyl-N'-p-tolylsulfamide | [no description available] | medium | 1 | 0 | sulfamides | marine xenobiotic metabolite |
2-(1-piperidinylmethyl)phenol | [no description available] | medium | 1 | 0 | | |
2,6-bis(benzimidazol-2-yl)pyridine | [no description available] | medium | 1 | 0 | benzimidazoles | |
1-cyclohexyl-3-(2-phenylethyl)urea | [no description available] | medium | 1 | 0 | benzenes | |
1-(3,5-dichlorophenyl)-3-phenylurea | [no description available] | medium | 1 | 0 | ureas | |
1-(cyclohexylmethyl)-4-phenylpiperazine | [no description available] | medium | 1 | 0 | piperazines | |
N-phenethyl-2-furamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
paromomycin sulfate | [no description available] | medium | 1 | 0 | | |
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide | [no description available] | medium | 1 | 0 | benzimidazoles | |
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine | [no description available] | medium | 1 | 0 | aralkylamine | |
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide | [no description available] | medium | 1 | 0 | monoterpenoid | |
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile | [no description available] | medium | 1 | 0 | nitrile; pyridines | |
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
vu0099704 | [no description available] | medium | 1 | 0 | | |
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline | [no description available] | medium | 1 | 0 | triazoles | |
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide | [no description available] | medium | 1 | 0 | pyrroloquinoline | |
2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole | [no description available] | medium | 1 | 0 | aryl sulfide | |
5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile | [no description available] | medium | 1 | 0 | | |
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone | [no description available] | medium | 1 | 0 | aromatic ketone | |
2-fluoro-N-phenacylbenzamide | [no description available] | medium | 1 | 0 | aromatic ketone | |
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile | [no description available] | medium | 1 | 0 | nitrile; pyridines | |
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone | [no description available] | medium | 1 | 0 | carbonyl compound; thiol | |
GS4012 free base | [no description available] | medium | 1 | 0 | aryl sulfide; monomethoxybenzene; pyridines | VEGF activator |
N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide | [no description available] | medium | 1 | 0 | benzimidazoles | |
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone | [no description available] | medium | 1 | 0 | aromatic ketone | |
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide | [no description available] | medium | 1 | 0 | amino acid amide; glycine derivative | |
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine | [no description available] | medium | 1 | 0 | piperazines | |
4-Piperidinobenzoic acid | [no description available] | medium | 1 | 0 | piperidines | |
1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine | [no description available] | medium | 1 | 0 | piperazines | |
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide | [no description available] | medium | 1 | 0 | pyrroloquinoline | |
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine | [no description available] | medium | 1 | 0 | benzimidazoles | |
4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide | [no description available] | medium | 1 | 0 | benzodioxine | |
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine | [no description available] | medium | 1 | 0 | | |
8-(3,5-dimethyl-1-pyrazolyl)quinoline | [no description available] | medium | 1 | 0 | quinolines | |
2'-nitroflavone | [no description available] | medium | 1 | 0 | | |
N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine | [no description available] | medium | 1 | 0 | aminoquinoline | |
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one | [no description available] | medium | 1 | 0 | aromatic compound | |
vrt 532 | [no description available] | medium | 1 | 0 | | |
4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol | [no description available] | medium | 1 | 0 | piperazines | |
1-piperonylpiperidine | [no description available] | medium | 1 | 0 | | |
2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol | [no description available] | medium | 1 | 0 | aromatic amine | |
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol | [no description available] | medium | 1 | 0 | aromatic amine | |
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one | [no description available] | medium | 1 | 0 | pyrazolopyrimidine | |
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide | [no description available] | medium | 1 | 0 | imidazoles | |
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | [no description available] | medium | 1 | 0 | aryl sulfide | |
5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine | [no description available] | medium | 1 | 0 | benzoxazole | |
1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea | [no description available] | medium | 1 | 0 | ureas | |
2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid | [no description available] | medium | 1 | 0 | N-acylglycine | |
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone | [no description available] | medium | 1 | 0 | aromatic ketone | |
N-(3-acetamidophenyl)-2-chlorobenzamide | [no description available] | medium | 1 | 0 | benzamides | |
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
2-bromo-N-(3-methoxyphenyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound | |
3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
2-(dimethylsulfamoylamino)-9H-fluorene | [no description available] | medium | 1 | 0 | fluorenes | |
4-chloro-1-ethyl-3-nitro-2-quinolinone | [no description available] | medium | 1 | 0 | nitro compound; quinolines | |
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone | [no description available] | medium | 1 | 0 | quinolines | |
2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde | [no description available] | medium | 1 | 0 | arenecarbaldehyde | |
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide | [no description available] | medium | 1 | 0 | triazoles | |
N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide | [no description available] | medium | 1 | 0 | anilide | |
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide | [no description available] | medium | 1 | 0 | organofluorine compound | |
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide | [no description available] | medium | 1 | 0 | phthalazines | |
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide | [no description available] | medium | 1 | 0 | phthalimides | |
6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline | [no description available] | medium | 1 | 0 | quinolines | |
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | pyridines | |
2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione | [no description available] | medium | 1 | 0 | phthalimides | |
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) | [no description available] | medium | 1 | 0 | benzimidazoles | |
N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide | [no description available] | medium | 1 | 0 | carbazoles | |
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide | [no description available] | medium | 1 | 0 | primary carboxamide; pyrazines; secondary carboxamide | |
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide | [no description available] | medium | 1 | 0 | benzodioxoles | |
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea | [no description available] | medium | 1 | 0 | benzodioxine | |
8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline | [no description available] | medium | 1 | 0 | aryl sulfide | |
1-[2-(2-chlorophenoxy)ethyl]benzimidazole | [no description available] | medium | 1 | 0 | benzimidazoles | |
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one | [no description available] | medium | 1 | 0 | C-nitro compound | |
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide | [no description available] | medium | 1 | 0 | sulfonamide | |
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone | [no description available] | medium | 1 | 0 | aromatic ketone | |
3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine | [no description available] | medium | 1 | 0 | triazolopyridazine | |
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide | [no description available] | medium | 1 | 0 | aromatic ketone | |
oncrasin-1 | [no description available] | medium | 1 | 0 | arenecarbaldehyde; indoles; monochlorobenzenes | antineoplastic agent; apoptosis inducer |
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide | [no description available] | medium | 1 | 0 | C-nitro compound | |
5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde | [no description available] | medium | 1 | 0 | benzimidazoles | |
N-(4-anilinophenyl)-2-methylpropanamide | [no description available] | medium | 1 | 0 | anilide | |
N-(2-fluorophenyl)-3-phenylpropanamide | [no description available] | medium | 1 | 0 | anilide | |
1-[(Phenylthio)acetyl]piperidine | [no description available] | medium | 1 | 0 | N-acylpiperidine | |
N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
4-(4-morpholinylmethyl)-3-quinolinol | [no description available] | medium | 1 | 0 | quinolines | |
2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione | [no description available] | medium | 1 | 0 | naphthofuran | |
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone | [no description available] | medium | 1 | 0 | benzamides | |
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone | [no description available] | medium | 1 | 0 | aromatic ketone | |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide | [no description available] | medium | 1 | 0 | acetamides | |
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
1-propylsulfonyl-4-(2-pyridinyl)piperazine | [no description available] | medium | 1 | 0 | piperazines; pyridines | |
2-(2-phenylethylthio)-3-pyridinecarboxylic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide | [no description available] | medium | 1 | 0 | aromatic ether | |
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide | [no description available] | medium | 1 | 0 | thiazoles | |
1-cyclohexyl-3-(3-ethylphenyl)urea | [no description available] | medium | 1 | 0 | ureas | |
n-phenylpiracetam | [no description available] | medium | 1 | 0 | | |
2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide | [no description available] | medium | 1 | 0 | biphenyls | |
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide | [no description available] | medium | 1 | 0 | benzamides | |
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide | [no description available] | medium | 1 | 0 | isoquinolines | |
5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
1,4-bis(thiophen-2-ylsulfonyl)piperazine | [no description available] | medium | 1 | 0 | N-sulfonylpiperazine; thiophenes | |
2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine | [no description available] | medium | 1 | 0 | piperazines | |
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide | [no description available] | medium | 1 | 0 | | |
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone | [no description available] | medium | 1 | 0 | quinazolines | |
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea | [no description available] | medium | 1 | 0 | morpholines | |
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate | [no description available] | medium | 1 | 0 | carbamate ester; sulfonamide | |
LSM-4563 | [no description available] | medium | 1 | 0 | aromatic ketone | |
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine | [no description available] | medium | 1 | 0 | piperazines | |
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide | [no description available] | medium | 1 | 0 | sulfonamide | |
4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine | [no description available] | medium | 1 | 0 | sulfonamide | |
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide | [no description available] | medium | 1 | 0 | sulfonamide | |
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline | [no description available] | medium | 1 | 0 | piperazines; pyridines | |
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone | [no description available] | medium | 1 | 0 | quinolines | |
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine | [no description available] | medium | 1 | 0 | tetrazoles | |
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide | [no description available] | medium | 1 | 0 | 1,3-oxazoles | |
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone | [no description available] | medium | 1 | 0 | piperazines; pyridines | |
2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol | [no description available] | medium | 1 | 0 | thiazolopyrimidine | |
3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid | [no description available] | medium | 1 | 0 | aromatic amide | |
3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide | [no description available] | medium | 1 | 0 | acetamides | |
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid | |
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide | [no description available] | medium | 1 | 0 | sulfonamide | |
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide | [no description available] | medium | 1 | 0 | benzamides | |
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione | [no description available] | medium | 1 | 0 | aromatic ketone | |
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
stk295900 | [no description available] | medium | 1 | 0 | | |
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine | [no description available] | medium | 1 | 0 | piperazines | |
2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide | [no description available] | medium | 1 | 0 | pyridazines; ring assembly | |
1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea | [no description available] | medium | 1 | 0 | ureas | |
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | [no description available] | medium | 1 | 0 | methoxybenzenes | |
N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine | [no description available] | medium | 1 | 0 | phthalazines | |
SMER 28 | [no description available] | medium | 1 | 0 | organobromine compound; quinazolines; secondary amino compound | autophagy inducer |
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester | [no description available] | medium | 1 | 0 | morpholines | |
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone | [no description available] | medium | 1 | 0 | aromatic ether | |
4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone | [no description available] | medium | 1 | 0 | N-acylpiperidine | |
N-(3-phenylpropyl)methanesulfonamide | [no description available] | medium | 1 | 0 | benzenes | |
4-acetamido-N-(2-methoxyethyl)benzamide | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone | [no description available] | medium | 1 | 0 | quinolines | |
5-bromo-N-(2-phenylphenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine | [no description available] | medium | 1 | 0 | aromatic ether | |
3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone | [no description available] | medium | 1 | 0 | aralkylamine | |
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | piperazinecarboxylic acid | |
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene | [no description available] | medium | 1 | 0 | methoxybenzenes | |
N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide | [no description available] | medium | 1 | 0 | sulfonamide | |
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine | [no description available] | medium | 1 | 0 | aromatic ether | |
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide | [no description available] | medium | 1 | 0 | biphenyls | |
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | | |
2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol | [no description available] | medium | 1 | 0 | nitrophenol | |
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine | [no description available] | medium | 1 | 0 | quinazolines | |
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one | [no description available] | medium | 1 | 0 | aromatic ketone | |
Methyl(2-furoylamino)acetic acid | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
5-nitro-8-(1-pyrrolidinyl)quinoline | [no description available] | medium | 1 | 0 | nitro compound; quinolines | |
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide | [no description available] | medium | 1 | 0 | amino acid amide | |
2-[(4-methylphenyl)sulfonylamino]pentanoic acid | [no description available] | medium | 1 | 0 | sulfonamide | |
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine | [no description available] | medium | 1 | 0 | | |
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide | [no description available] | medium | 1 | 0 | piperidines | |
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone | [no description available] | medium | 1 | 0 | acetamides | |
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile | [no description available] | medium | 1 | 0 | methoxybenzenes | |
3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione | [no description available] | medium | 1 | 0 | pyrrolidines | |
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione | [no description available] | medium | 1 | 0 | pyrrolidines | |
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
(3,5-Dimethyl-1-adamantyl)amine nitrate | [no description available] | medium | 1 | 0 | nitrates | |
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine | |
4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine | [no description available] | medium | 1 | 0 | aralkylamine | |
N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid | [no description available] | medium | 1 | 0 | anilide | |
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide | [no description available] | medium | 1 | 0 | monoterpenoid | |
4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid | [no description available] | medium | 1 | 0 | benzodioxine | |
2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol | [no description available] | medium | 1 | 0 | aromatic compound | |
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile | [no description available] | medium | 1 | 0 | pyrrolidines | |
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol | [no description available] | medium | 1 | 0 | methoxybenzenes | |
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | medium | 1 | 0 | organochlorine compound; pyranopyrazole | |
1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol | [no description available] | medium | 1 | 0 | benzimidazoles | |
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile | [no description available] | medium | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione | [no description available] | medium | 1 | 0 | pyrrolidines | |
6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid | [no description available] | medium | 1 | 0 | anilide | |
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid | [no description available] | medium | 1 | 0 | organosulfur heterocyclic compound | |
[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone | [no description available] | medium | 1 | 0 | aromatic amide; thiophenes | |
[4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone | [no description available] | medium | 1 | 0 | piperazines | |
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine | [no description available] | medium | 1 | 0 | piperazines | |
5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline | [no description available] | medium | 1 | 0 | piperazines | |
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide | [no description available] | medium | 1 | 0 | benzothiazoles | |
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide | [no description available] | medium | 1 | 0 | nitro compound; quinolines | |
1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide | [no description available] | medium | 1 | 0 | pyrrolidines | |
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; sulfonamide; toluenes | bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector |
6,3',4'-Trimethoxyflavanone | [no description available] | medium | 1 | 0 | ether; flavonoids | |
1-[4-(3-ethoxyphenoxy)butyl]imidazole | [no description available] | medium | 1 | 0 | aromatic ether | |
5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione | [no description available] | medium | 1 | 0 | phthalimides | |
[4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone | [no description available] | medium | 1 | 0 | sulfonamide | |
3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid | [no description available] | medium | 1 | 0 | aromatic amide | |
2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide | [no description available] | medium | 1 | 0 | quinolines | |
LSM-25805 | [no description available] | medium | 1 | 0 | isoindoles | |
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide | [no description available] | medium | 1 | 0 | quinolines | |
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide | [no description available] | medium | 1 | 0 | 1-benzothiophenes | |
nsc 727447 | [no description available] | medium | 1 | 0 | | |
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide | [no description available] | medium | 1 | 0 | acetamides | |
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide | [no description available] | medium | 1 | 0 | C-nitro compound; thiazoles | |
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine | [no description available] | medium | 1 | 0 | methoxybenzenes | |
N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide | [no description available] | medium | 1 | 0 | pyrrolidines | |
3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide | [no description available] | medium | 1 | 0 | C-nitro compound | |
2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide | [no description available] | medium | 1 | 0 | nitrophenol | |
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine | [no description available] | medium | 1 | 0 | C-nitro compound | |
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one | [no description available] | medium | 1 | 0 | | |
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; thiazoles | |
ex 527 | [no description available] | medium | 1 | 0 | carbazoles; monocarboxylic acid amide; organochlorine compound | |
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one | [no description available] | medium | 1 | 0 | indoles | |
4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one | [no description available] | medium | 1 | 0 | phenylpyridine | |
3-methylharman | [no description available] | medium | 1 | 0 | | |
1-methyl-beta-carboline-3-carboxylic acid | [no description available] | medium | 1 | 0 | | |
sildenafil | [no description available] | medium | 1 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
2-methyl-4(3h)-quinazolinone | [no description available] | medium | 1 | 0 | | |
n(4)-desoxychlordiazepoxide | [no description available] | medium | 1 | 0 | | |
2-amino-3-hydroxyphenazine | [no description available] | medium | 1 | 0 | | |
2-styrylquinazolin-4(3h)-one | [no description available] | medium | 1 | 0 | | |
2-amino-5-iodo-6-phenyl-4-pyrimidinone | [no description available] | medium | 1 | 0 | | |
quininib | [no description available] | medium | 1 | 0 | phenols; styrylquinoline | angiogenesis inhibitor |
bropirimine | [no description available] | medium | 1 | 0 | pyrimidines | |
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one | [no description available] | medium | 1 | 0 | quinazolines | |
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one | [no description available] | medium | 1 | 0 | quinazolines | |
ampicillin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
benzanilide | [no description available] | medium | 2 | 0 | | |
vancomycin | [no description available] | medium | 2 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
rafoxanide | [no description available] | medium | 1 | 0 | | |
closantel | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
ly-146032 | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide | antibacterial drug; bacterial metabolite; calcium-dependent antibiotics |
rifampin | [no description available] | medium | 1 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
3-hydroxyflavone | [no description available] | medium | 1 | 0 | flavonols; monohydroxyflavone | |
benserazide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
isoliquiritigenin | [no description available] | medium | 1 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
galangin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
aminolevulinic acid | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
salicylic acid | [no description available] | medium | 3 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
thiamine | [no description available] | medium | 1 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
pleconaril | [no description available] | medium | 1 | 0 | | |
4-(2-aminoethyl)benzenesulfonylfluoride | [no description available] | medium | 1 | 0 | | |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
acetazolamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
alprenolol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
amantadine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
amodiaquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
aspirin | [no description available] | medium | 1 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
camostat | [no description available] | medium | 1 | 0 | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
camphor, (+-)-isomer | [no description available] | medium | 1 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
cetylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
ciprofibrate | [no description available] | medium | 1 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
danthron | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator; protective agent |
dipyridamole | [no description available] | medium | 1 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
disulfiram | [no description available] | medium | 1 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
valproic acid | [no description available] | medium | 2 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
doxazosin | [no description available] | medium | 1 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
2-hexyloxybenzamide | [no description available] | medium | 1 | 0 | aromatic ether; benzamides | antifungal agent |
brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
gabexate | [no description available] | medium | 1 | 0 | benzoate ester | |
glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
fasudil | [no description available] | medium | 1 | 0 | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
hexylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
beta-thujaplicin | [no description available] | medium | 1 | 0 | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen; schistosomicide drug |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroxyurea | [no description available] | medium | 1 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
indomethacin | [no description available] | medium | 1 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
avapro | [no description available] | medium | 1 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
kojic acid | [no description available] | medium | 1 | 0 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
lapachol | [no description available] | medium | 1 | 0 | | |
loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | medium | 1 | 0 | benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
mafenide | [no description available] | medium | 1 | 0 | aromatic amine | |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
mitoxantrone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
entinostat | [no description available] | medium | 1 | 0 | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
ethylmaleimide | [no description available] | medium | 1 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nafamostat | [no description available] | medium | 1 | 0 | benzoic acids; guanidines | |
nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
osalmide | [no description available] | medium | 1 | 0 | organic molecular entity | |
oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
palmidrol | [no description available] | medium | 1 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
perhexiline | [no description available] | medium | 1 | 0 | piperidines | cardiovascular drug |
phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
pimobendan | [no description available] | medium | 1 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
pj-34 | [no description available] | medium | 1 | 0 | phenanthridines; secondary carboxamide; tertiary amino compound | angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent |
praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
probenecid | [no description available] | medium | 1 | 0 | benzoic acids; sulfonamide | uricosuric drug |
probucol | [no description available] | medium | 1 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
promazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
promethazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propranolol | [no description available] | medium | 1 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
rimantadine | [no description available] | medium | 1 | 0 | alkylamine | |
rolipram | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
scriptaid | [no description available] | medium | 1 | 0 | isoquinolines | |
sebacic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite; plant metabolite |
fenofibrate | [no description available] | medium | 1 | 0 | benzochromenone; delta-lactone; naphtho-alpha-pyrone | platelet aggregation inhibitor; Sir2 inhibitor |
imatinib | [no description available] | medium | 1 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
suprofen | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
thalidomide | [no description available] | medium | 1 | 0 | phthalimides; piperidones | |
ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic; sodium channel blocker |
trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
trigonelline | [no description available] | medium | 1 | 0 | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides; tertiary amino compound | antiemetic |
trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
tyrphostin a9 | [no description available] | medium | 1 | 0 | alkylbenzene | geroprotector |
delavirdine | [no description available] | medium | 1 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
idoxuridine | [no description available] | medium | 1 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
cycloheximide | [no description available] | medium | 1 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
ficusin | [no description available] | medium | 1 | 0 | psoralens | plant metabolite |
tubercidin | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
trifluridine | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
gramine | [no description available] | medium | 1 | 0 | aminoalkylindole; indole alkaloid; tertiary amino compound | antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist |
aminacrine | [no description available] | medium | 1 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
methyl gallate | [no description available] | medium | 1 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
monobenzone | [no description available] | medium | 1 | 0 | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator; copper chelator |
catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant; plant metabolite |
azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
lucanthone | [no description available] | medium | 1 | 0 | thioxanthenes | adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug |
cepharanthine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
aloe emodin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
emetine | [no description available] | medium | 1 | 0 | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; coumarins | metabolite |
flavanone | [no description available] | medium | 1 | 0 | flavanones | |
phloretic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | plant metabolite |
oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
angelicin | [no description available] | medium | 1 | 0 | furanocoumarin | |
diperodon | [no description available] | medium | 1 | 0 | carbamate ester | |
megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
ethambutol | [no description available] | medium | 1 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
metformin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | environmental contaminant; hypoglycemic agent; xenobiotic |
antimycin a | [no description available] | medium | 1 | 0 | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide |
5,5'-dimethyl-2,2'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridines | |
dichlorobenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols; dichlorobenzene | antiseptic drug |
stavudine | [no description available] | medium | 1 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
dideoxyadenosine | [no description available] | medium | 1 | 0 | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
3-deazaadenosine | [no description available] | medium | 1 | 0 | | |
zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
ancitabine | [no description available] | medium | 1 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
chloropyramine | [no description available] | medium | 1 | 0 | aminopyridine | |
levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
n'-nitrosonornicotine | [no description available] | medium | 1 | 0 | pyridines; pyrrolidines | |
daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
zidovudine | [no description available] | medium | 1 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
ribavirin | [no description available] | medium | 1 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
pyridoxal phosphate | [no description available] | medium | 1 | 0 | pyridinecarbaldehyde | |
nitazoxanide | [no description available] | medium | 1 | 0 | benzamides; carboxylic ester | |
captopril | [no description available] | medium | 1 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
oltipraz | [no description available] | medium | 1 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
fiacitabine | [no description available] | medium | 1 | 0 | | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
brequinar | [no description available] | medium | 1 | 0 | biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
adefovir | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
cidofovir anhydrous | [no description available] | medium | 1 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
celgosivir | [no description available] | medium | 1 | 0 | | |
gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
lamivudine | [no description available] | medium | 1 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
zanamivir | [no description available] | medium | 1 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
emtricitabine | [no description available] | medium | 1 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
octyl gallate | [no description available] | medium | 1 | 0 | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite |
efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nelfinavir | [no description available] | medium | 1 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
betulinic acid | [no description available] | medium | 1 | 0 | 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 |
arctigenin | [no description available] | medium | 1 | 0 | lignan | |
baicalin | [no description available] | medium | 1 | 0 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
plerixafor | [no description available] | medium | 1 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
amprenavir | [no description available] | medium | 1 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
oseltamivir | [no description available] | medium | 1 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
epigallocatechin gallate | [no description available] | medium | 1 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | medium | 1 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
cephalotaxine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound | |
desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
aloxistatin | [no description available] | medium | 1 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
propazole | [no description available] | medium | 1 | 0 | benzimidazoles | |
prulifloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; quinolone antibiotic | |
telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
bergenin | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | metabolite |
zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
artemisinin | [no description available] | medium | 1 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
brinzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thienothiazine | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
oxprenolol hydrochloride | [no description available] | medium | 1 | 0 | | |
opipramol hydrochloride | [no description available] | medium | 1 | 0 | | |
moroxydine | [no description available] | medium | 1 | 0 | biguanides | |
thioxolone | [no description available] | medium | 1 | 0 | benzoxathiole | antiseborrheic |
honokiol | [no description available] | medium | 1 | 0 | biphenyls | |
nobiletin | [no description available] | medium | 1 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
lycorine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor |
leupeptin | [no description available] | medium | 1 | 0 | aldehyde; tripeptide | bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
calpeptin | [no description available] | medium | 1 | 0 | amino acid amide | |
fangchinoline | [no description available] | medium | 1 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle | anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite |
maslinic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
atovaquone | [no description available] | medium | 1 | 0 | hydroxy-1,2-naphthoquinone | |
loganin | [no description available] | medium | 1 | 0 | beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol | anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite |
moexipril | [no description available] | medium | 1 | 0 | peptide | |
aucubin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
catalpol | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
lekoptin | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
n-methyladenosine | [no description available] | medium | 1 | 0 | methyladenosine | |
sivelestat | [no description available] | medium | 1 | 0 | N-acylglycine; pivalate ester | |
pyronaridine | [no description available] | medium | 1 | 0 | aminoquinoline | |
geniposide | [no description available] | medium | 1 | 0 | terpene glycoside | |
daidzin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
sophocarpine | [no description available] | medium | 1 | 0 | | |
marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
elacridar | [no description available] | medium | 1 | 0 | | |
celastrol | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
vadimezan | [no description available] | medium | 1 | 0 | monocarboxylic acid; xanthones | antineoplastic agent |
e 64 | [no description available] | medium | 1 | 0 | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
umifenovir | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
safinamide | [no description available] | medium | 1 | 0 | amino acid amide | |
ilomastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
atazanavir | [no description available] | medium | 1 | 0 | carbohydrazide | antiviral drug; HIV protease inhibitor |
vx 497 | [no description available] | medium | 1 | 0 | | |
bcx 1812 | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
olmesartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent |
telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
celastrol methyl ester | [no description available] | medium | 1 | 0 | carboxylic ester | |
resiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | |
tanshinone ii a | [no description available] | medium | 1 | 0 | abietane diterpenoid | |
anacardic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; hydroxybenzoic acid | anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite |
migalastat | [no description available] | medium | 1 | 0 | piperidines | |
erlotinib | [no description available] | medium | 1 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
limonin | [no description available] | medium | 1 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
scutellarin | [no description available] | medium | 1 | 0 | glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antineoplastic agent; proteasome inhibitor |
etravirine | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic ether; dinitrile; organobromine compound | antiviral agent; HIV-1 reverse transcriptase inhibitor |
chelidonine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
4-n-butylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
darunavir | [no description available] | medium | 1 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
dapivirine | [no description available] | medium | 1 | 0 | | |
nsc 74859 | [no description available] | medium | 1 | 0 | amidobenzoic acid; monohydroxybenzoic acid; tosylate ester | STAT3 inhibitor |
berbamine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
u-104 | [no description available] | medium | 1 | 0 | | |
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | glycoside | |
bortezomib | [no description available] | medium | 1 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
tizoxanide | [no description available] | medium | 1 | 0 | salicylamides | |
arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
quinidine | [no description available] | medium | 1 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
conessine | [no description available] | medium | 1 | 0 | steroid alkaloid; tertiary amino compound | antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite |
saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
abacavir | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
linezolid | [no description available] | medium | 1 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
cephaelin | [no description available] | medium | 1 | 0 | pyridoisoquinoline | |
(-)-usnic acid | [no description available] | medium | 1 | 0 | usnic acid | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
acetylleucyl-leucyl-norleucinal | [no description available] | medium | 1 | 0 | aldehyde; tripeptide | cysteine protease inhibitor |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
lycopene | [no description available] | medium | 1 | 0 | acyclic carotene | antioxidant; plant metabolite |
zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
roflumilast | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound | anti-asthmatic drug; phosphodiesterase IV inhibitor |
L-cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
h 89 | [no description available] | medium | 1 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
bevirimat | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid | HIV-1 maturation inhibitor; metabolite |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 1 | 0 | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
tenofovir | [no description available] | medium | 1 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
posaconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
gw 257406x | [no description available] | medium | 1 | 0 | | |
shikonin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide | [no description available] | medium | 1 | 0 | tropane alkaloid | |
cmx 001 | [no description available] | medium | 1 | 0 | | |
amd 8664 | [no description available] | medium | 1 | 0 | | |
bay 41-4109 | [no description available] | medium | 1 | 0 | | |
bay 57-1293 | [no description available] | medium | 1 | 0 | | |
2'-c-methylcytidine | [no description available] | medium | 1 | 0 | | |
isoxanthohumol | [no description available] | medium | 1 | 0 | flavanones | |
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | [no description available] | medium | 1 | 0 | aromatic ether | |
mecarbinate | [no description available] | medium | 1 | 0 | | |
acetyl-aspartyl-glutamyl-valyl-aspartal | [no description available] | medium | 1 | 0 | tetrapeptide | protease inhibitor |
octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
mercaptopurine | [no description available] | medium | 1 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
jrf 12 | [no description available] | medium | 1 | 0 | | |
3,4'-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
3-(3,4-dimethoxyphenyl)propenoic acid | [no description available] | medium | 1 | 0 | methoxycinnamic acid | |
isoferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | antioxidant; biomarker; metabolite |
cyclouridine | [no description available] | medium | 1 | 0 | | |
curcumin | [no description available] | medium | 1 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
zucapsaicin | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
nbd 556 | [no description available] | medium | 1 | 0 | | |
thioguanine anhydrous | [no description available] | medium | 1 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
4,5,6,7-tetrachloroindan-1,3-dione | [no description available] | medium | 1 | 0 | | |
srpin340 | [no description available] | medium | 1 | 0 | | |
pr-619 | [no description available] | medium | 1 | 0 | | |
p5091 | [no description available] | medium | 1 | 0 | | |
trovirdine | [no description available] | medium | 1 | 0 | | |
fti 277 | [no description available] | medium | 1 | 0 | | |
u 0126 | [no description available] | medium | 1 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
vicriviroc | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
orlistat | [no description available] | medium | 1 | 0 | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
dasatinib | [no description available] | medium | 1 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
yya-021 | [no description available] | medium | 1 | 0 | | |
sb 415286 | [no description available] | medium | 1 | 0 | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
tak-220 | [no description available] | medium | 1 | 0 | | |
jtk-303 | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone | HIV-1 integrase inhibitor |
nbd 557 | [no description available] | medium | 1 | 0 | | |
5'-o-caffeoylquinic acid | [no description available] | medium | 1 | 0 | cinnamate ester; cyclitol carboxylic acid | plant metabolite |
luteolin-7-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
cyclosporine | [no description available] | medium | 1 | 0 | | |
harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
eprosartan | [no description available] | medium | 1 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
mycophenolate mofetil | [no description available] | medium | 1 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
entacapone | [no description available] | medium | 1 | 0 | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
amentoflavone | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite |
baicalein | [no description available] | medium | 1 | 0 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
genkwanin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | metabolite |
hyperoside | [no description available] | medium | 1 | 0 | beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
mangostin | [no description available] | medium | 1 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
3-methylquercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
kaempferide | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone | antihypertensive agent; metabolite |
orientin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
scutellarein | [no description available] | medium | 1 | 0 | tetrahydroxyflavone | metabolite |
trans-2,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | stilbenoid | |
polydatin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
chicoric acid | [no description available] | medium | 1 | 0 | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
acteoside | [no description available] | medium | 1 | 0 | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
topiramate | [no description available] | medium | 1 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
benzyloxycarbonyl-phe-ala-fluormethylketone | [no description available] | medium | 1 | 0 | | |
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | [no description available] | medium | 1 | 0 | carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
casticin | [no description available] | medium | 1 | 0 | dihydroxyflavone; tetramethoxyflavone | apoptosis inducer; plant metabolite |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; resorcinols; stilbenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor |
tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
pd 151746 | [no description available] | medium | 1 | 0 | | |
lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
verteporfin | [no description available] | medium | 1 | 0 | | |
batimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
solanesol | [no description available] | medium | 1 | 0 | nonaprenol; primary alcohol | plant metabolite |
pepstatin | [no description available] | medium | 1 | 0 | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
l 685458 | [no description available] | medium | 1 | 0 | carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic |
bms 806 | [no description available] | medium | 1 | 0 | | |
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 1 | 0 | | |
tulobuterol hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
salubrinal | [no description available] | medium | 1 | 0 | aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas | |
germacrone | [no description available] | medium | 1 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid | [no description available] | medium | 1 | 0 | | |
lithospermic acid | [no description available] | medium | 1 | 0 | | |
laq824 | [no description available] | medium | 1 | 0 | | |
ekb 569 | [no description available] | medium | 1 | 0 | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
rilpivirine | [no description available] | medium | 1 | 0 | aminopyrimidine; nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor |
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | [no description available] | medium | 1 | 0 | germacranolide | |
4,5-di-O-caffeoylquinic acid | [no description available] | medium | 1 | 0 | quinic acid | |
indigo carmine | [no description available] | medium | 1 | 0 | | |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | [no description available] | medium | 1 | 0 | oligopeptide | |
vildagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
belinostat | [no description available] | medium | 1 | 0 | hydroxamic acid; olefinic compound; sulfonamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
hdac-42 | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
chlorhexidine | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
gs-7340 | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester | antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug |
iniparib | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | [no description available] | medium | 1 | 0 | | |
pri-2205 | [no description available] | medium | 1 | 0 | | |
mk 0752 | [no description available] | medium | 1 | 0 | | |
givinostat | [no description available] | medium | 1 | 0 | carbamate ester | |
pd 144418 | [no description available] | medium | 1 | 0 | | |
bicyclol | [no description available] | medium | 1 | 0 | | |
midostaurin | [no description available] | medium | 1 | 0 | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
ly 450139 | [no description available] | medium | 1 | 0 | peptide | |
mocetinostat | [no description available] | medium | 1 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
rivaroxaban | [no description available] | medium | 1 | 0 | aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
sb 3ct compound | [no description available] | medium | 1 | 0 | aromatic ether | |
ginsenoside rb1 | [no description available] | medium | 1 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger |
rucaparib | [no description available] | medium | 1 | 0 | azepinoindole; caprolactams; organofluorine compound; secondary amino compound | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
cetilistat | [no description available] | medium | 1 | 0 | benzoxazine | |
ym 201636 | [no description available] | medium | 1 | 0 | aromatic amide | |
linagliptin | [no description available] | medium | 1 | 0 | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
odanacatib | [no description available] | medium | 1 | 0 | | |
apilimod | [no description available] | medium | 1 | 0 | | |
apixaban | [no description available] | medium | 1 | 0 | aromatic ether; lactam; piperidones; pyrazolopyridine | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
betrixaban | [no description available] | medium | 1 | 0 | benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
edoxaban | [no description available] | medium | 1 | 0 | chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor |
saracatinib | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent |
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide | [no description available] | medium | 1 | 0 | tripeptide; ureas | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
ly 411575 | [no description available] | medium | 1 | 0 | dibenzoazepine; difluorobenzene; lactam; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor |
galidesivir | [no description available] | medium | 1 | 0 | | |
PB28 | [no description available] | medium | 1 | 0 | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
degrasyn | [no description available] | medium | 1 | 0 | | |
epoxomicin | [no description available] | medium | 1 | 0 | morpholines; tripeptide | proteasome inhibitor |
bms 477118 | [no description available] | medium | 1 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
pha 680632 | [no description available] | medium | 1 | 0 | | |
tmc 353121 | [no description available] | medium | 1 | 0 | | |
amd 070 | [no description available] | medium | 1 | 0 | aminoquinoline | |
danoprevir | [no description available] | medium | 1 | 0 | | |
bms-626529 | [no description available] | medium | 1 | 0 | | |
bms-663068 | [no description available] | medium | 1 | 0 | | |
amenamevir | [no description available] | medium | 1 | 0 | | |
vx 765 | [no description available] | medium | 1 | 0 | dipeptide | |
Dihydrotanshinone I | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
alogliptin | [no description available] | medium | 1 | 0 | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
fr 180204 | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
quisinostat | [no description available] | medium | 1 | 0 | indoles | |
carfilzomib | [no description available] | medium | 1 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
hcv 796 | [no description available] | medium | 1 | 0 | | |
resminostat | [no description available] | medium | 1 | 0 | | |
zk 756326 | [no description available] | medium | 1 | 0 | aromatic ether | |
balapiravir | [no description available] | medium | 1 | 0 | | |
trametinib | [no description available] | medium | 1 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
deoxyarbutin | [no description available] | medium | 1 | 0 | | |
abexinostat | [no description available] | medium | 1 | 0 | benzofurans | |
silvestrol | [no description available] | medium | 1 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
narlaprevir | [no description available] | medium | 1 | 0 | azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas | anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor |
teneligliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
dextrothyroxine | [no description available] | medium | 1 | 0 | | |
veliparib | [no description available] | medium | 1 | 0 | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
pf 03491390 | [no description available] | medium | 1 | 0 | | |
alloin | [no description available] | medium | 1 | 0 | anthracenes; C-glycosyl compound; cyclic ketone; phenols | laxative; metabolite |
mdv 3100 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent |
bms-650032 | [no description available] | medium | 1 | 0 | oligopeptide | |
rg 7128 | [no description available] | medium | 1 | 0 | | |
oritavancin | [no description available] | medium | 1 | 0 | disaccharide derivative; glycopeptide; semisynthetic derivative | antibacterial drug; antimicrobial agent |
pevonedistat | [no description available] | medium | 1 | 0 | cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate | antineoplastic agent; apoptosis inducer |
uk 453,061 | [no description available] | medium | 1 | 0 | aromatic ether | |
N-(2-aminophenyl)-2-pyrazinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
tegobuvir | [no description available] | medium | 1 | 0 | | |
pf-429242 | [no description available] | medium | 1 | 0 | | |
olaparib | [no description available] | medium | 1 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
cx 4945 | [no description available] | medium | 1 | 0 | | |
pci 34051 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
lomibuvir | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
delanzomib | [no description available] | medium | 1 | 0 | C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative | antineoplastic agent; apoptosis inducer; proteasome inhibitor |
pitavastatin(1-) | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid anion | |
GRL-0617 | [no description available] | medium | 1 | 0 | benzamides; naphthalenes; secondary carboxamide; substituted aniline | anticoronaviral agent; protease inhibitor |
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | [no description available] | medium | 1 | 0 | carbamate ester | |
niraparib | [no description available] | medium | 1 | 0 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent |
jzl 184 | [no description available] | medium | 1 | 0 | benzodioxoles | |
gsk 650394 | [no description available] | medium | 1 | 0 | phenylpyridine | |
oprozomib | [no description available] | medium | 1 | 0 | | |
az 960 | [no description available] | medium | 1 | 0 | | |
golgicide a | [no description available] | medium | 1 | 0 | diastereoisomeric mixture | cis-Golgi ArfGEF GBF inhibitor |
cobicistat | [no description available] | medium | 1 | 0 | 1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas | P450 inhibitor |
bms-790052 | [no description available] | medium | 1 | 0 | biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative | antiviral drug; nonstructural protein 5A inhibitor |
ixazomib | [no description available] | medium | 1 | 0 | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor |
ucph 101 | [no description available] | medium | 1 | 0 | | |
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide; thienopyrimidine | |
baricitinib | [no description available] | medium | 1 | 0 | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent |
KOM70144 | [no description available] | medium | 1 | 0 | acetamides; benzamides; naphthalenes; secondary carboxamide | anticoronaviral agent; protease inhibitor |
e-52862 | [no description available] | medium | 1 | 0 | | |
ly2811376 | [no description available] | medium | 1 | 0 | | |
anagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
gardiquimod | [no description available] | medium | 1 | 0 | | |
grazoprevir | [no description available] | medium | 1 | 0 | aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative | antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent |
abt-450 | [no description available] | medium | 1 | 0 | | |
letermovir | [no description available] | medium | 1 | 0 | | |
sofosbuvir | [no description available] | medium | 1 | 0 | isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester | antiviral drug; hepatitis C protease inhibitor; prodrug |
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | [no description available] | medium | 1 | 0 | benzoxazole | |
blz 945 | [no description available] | medium | 1 | 0 | | |
azd3839 | [no description available] | medium | 1 | 0 | | |
pf 3084014 | [no description available] | medium | 1 | 0 | | |
unc 0638 | [no description available] | medium | 1 | 0 | quinazolines | |
gs-9620 | [no description available] | medium | 1 | 0 | | |
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide | [no description available] | medium | 1 | 0 | | |
bms 708163 | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
jq1 compound | [no description available] | medium | 1 | 0 | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer |
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone | [no description available] | medium | 1 | 0 | | |
gsk525762a | [no description available] | medium | 1 | 0 | benzodiazepine | |
ML240 | [no description available] | medium | 1 | 0 | aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound | antineoplastic agent |
birinapant | [no description available] | medium | 1 | 0 | dipeptide | |
ly2886721 | [no description available] | medium | 1 | 0 | | |
nms-p118 | [no description available] | medium | 1 | 0 | | |
tubastatin a | [no description available] | medium | 1 | 0 | hydroxamic acid; pyridoindole; tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor |
pracinostat | [no description available] | medium | 1 | 0 | benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound | antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
spautin-1 | [no description available] | medium | 1 | 0 | | |
ldn 57444 | [no description available] | medium | 1 | 0 | | |
gsk1210151a | [no description available] | medium | 1 | 0 | imidazoquinoline | |
i-bet726 | [no description available] | medium | 1 | 0 | | |
acy-1215 | [no description available] | medium | 1 | 0 | pyrimidinecarboxylic acid | |
cudc-907 | [no description available] | medium | 1 | 0 | | |
mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
tasquinimod | [no description available] | medium | 1 | 0 | | |
gsk1265744 | [no description available] | medium | 1 | 0 | difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide | HIV-1 integrase inhibitor |
abt-267 | [no description available] | medium | 1 | 0 | aromatic amide; carbamate ester; dipeptide; pyrrolidines | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
abt-333 | [no description available] | medium | 1 | 0 | aromatic ether; naphthalenes; pyrimidone; sulfonamide | antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor |
rgfp966 | [no description available] | medium | 1 | 0 | | |
rg2833 | [no description available] | medium | 1 | 0 | | |
pi-1840 | [no description available] | medium | 1 | 0 | | |
acy-738 | [no description available] | medium | 1 | 0 | | |
pelabresib | [no description available] | medium | 1 | 0 | monochlorobenzenes; organic heterotricyclic compound; primary carboxamide | antineoplastic agent; bromodomain-containing protein 4 inhibitor |
gs-5806 | [no description available] | medium | 1 | 0 | | |
doravirine | [no description available] | medium | 1 | 0 | | |
gn6958 | [no description available] | medium | 1 | 0 | | |
vx-787 | [no description available] | medium | 1 | 0 | | |
ledipasvir | [no description available] | medium | 1 | 0 | azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound | antiviral drug; hepatitis C protease inhibitor |
gs-5816 | [no description available] | medium | 1 | 0 | carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
g007-lk | [no description available] | medium | 1 | 0 | | |
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | [no description available] | medium | 1 | 0 | | |
selinexor | [no description available] | medium | 1 | 0 | | |
verdinexor | [no description available] | medium | 1 | 0 | | |
cb-839 | [no description available] | medium | 1 | 0 | | |
mk-8742 | [no description available] | medium | 1 | 0 | carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent |
atglistatin | [no description available] | medium | 1 | 0 | | |
xen445 | [no description available] | medium | 1 | 0 | | |
santacruzamate a | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
ldc4297 | [no description available] | medium | 1 | 0 | aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound | antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
enasidenib | [no description available] | medium | 1 | 0 | 1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
s 8932 | [no description available] | medium | 1 | 0 | aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine | anticoronaviral agent; antiviral drug; prodrug |
entecavir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; primary alcohol; secondary alcohol | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
nu 1025 | [no description available] | medium | 1 | 0 | phenols; quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
didanosine | [no description available] | medium | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
valacyclovir | [no description available] | medium | 1 | 0 | L-valyl ester | antiviral drug |
penciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
4-hydroxyquinazoline | [no description available] | medium | 1 | 0 | quinazolines | |
tegaserod | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
azilsartan | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid | angiotensin receptor antagonist; antihypertensive agent |
hesperadin | [no description available] | medium | 1 | 0 | | |
6-bromoindirubin-3'-acetoxime | [no description available] | medium | 1 | 0 | | |
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | [no description available] | medium | 1 | 0 | catechols; hydrazide; hydrazone; naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
XL413 | [no description available] | medium | 1 | 0 | benzofuropyrimidine; organochlorine compound; pyrrolidines | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
me0328 | [no description available] | medium | 1 | 0 | | |
nvp-tnks656 | [no description available] | medium | 1 | 0 | | |
carbamates | [no description available] | medium | 6 | 0 | amino-acid anion | |
2-naphthol | [no description available] | medium | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
niclosamide | [no description available] | medium | 4 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
benzoxazoles | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
tuftsin | [no description available] | medium | 1 | 0 | peptide | |
bambermycins | [no description available] | medium | 1 | 0 | | |
xanthenes | [no description available] | medium | 1 | 0 | xanthene | |
oxyclozanide | [no description available] | medium | 1 | 0 | | |
phenyl acetate | [no description available] | medium | 1 | 0 | benzenes; phenyl acetates | |
pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent; drug metabolite |
pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
gefitinib | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
piperidines | [no description available] | medium | 2 | 0 | | |
quinazolines | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
bromine | [no description available] | medium | 4 | 0 | diatomic bromine | |
platinum | [no description available] | medium | 1 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
kainic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
pilocarpine | [no description available] | medium | 1 | 0 | pilocarpine | antiglaucoma drug |
salicylates | [no description available] | medium | 21 | 0 | monohydroxybenzoate | plant metabolite |
methane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
cyanuric chloride | [no description available] | medium | 1 | 0 | chloro-1,3,5-triazine; organochlorine compound | cross-linking reagent |
chlorine | [no description available] | medium | 1 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
acetaldehyde | [no description available] | medium | 1 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
metaldehyde | [no description available] | medium | 1 | 0 | tetroxocane | fuel; molluscicide |
pyrazinoate | [no description available] | medium | 1 | 0 | monocarboxylic acid anion | |
pyrazines | [no description available] | medium | 1 | 0 | diazine; pyrazines | Daphnia magna metabolite |
galantamine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
propylene glycol | [no description available] | medium | 1 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
17-ketosteroids | [no description available] | medium | 1 | 0 | | |
phenylbutazone | [no description available] | medium | 1 | 0 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
aminopyrine | [no description available] | medium | 1 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
prednisone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
hydrogen carbonate | [no description available] | medium | 1 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cortisone | [no description available] | medium | 2 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
chlorine | [no description available] | medium | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
terconazole | [no description available] | medium | 1 | 0 | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
bromide | [no description available] | medium | 1 | 0 | halide anion; monoatomic bromine | |
caprylates | [no description available] | medium | 1 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
bamipine | [no description available] | medium | 1 | 0 | aromatic amine | |
dibromsalan | [no description available] | medium | 1 | 0 | | |
ci 994 | [no description available] | medium | 1 | 0 | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
labetalol | [no description available] | low | 0 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
salicylamide | [no description available] | low | 0 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
sultopride | [no description available] | low | 0 | 0 | salicylamides | |
salacetamide | [no description available] | low | 0 | 0 | salicylamides | |
medroxalol | [no description available] | low | 0 | 0 | salicylamides | |
eticlopride | [no description available] | low | 0 | 0 | salicylamides | |
labetalol hydrochloride | [no description available] | low | 0 | 0 | salicylamides | |
alibendol | [no description available] | low | 0 | 0 | salicylamides | |
N'-[(4-chlorophenyl)-oxomethyl]-2-hydroxy-3-methylbenzohydrazide | [no description available] | low | 0 | 0 | salicylamides | |
N-[(2-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-carboxamide | [no description available] | low | 0 | 0 | salicylamides | |
raclopride | [no description available] | low | 0 | 0 | salicylamides | |
N-[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide | [no description available] | low | 0 | 0 | salicylamides | |
3,3',4',5-tetrachlorosalicylanilide | [no description available] | low | 0 | 0 | dichlorobenzene; salicylanilides | drug allergen |
2-toluanilide | [no description available] | low | 0 | 0 | benzamides; benzanilide fungicide | |
flutolanil | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |