Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid | human metabolite |
pipecolic acid | [no description available] | medium | 1 | 0 | piperidinemonocarboxylic acid | |
acetanilide | [no description available] | medium | 1 | 0 | acetamides; anilide | analgesic |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
salophen | [no description available] | medium | 1 | 0 | carbonyl compound | |
Acetylpheneturide | [no description available] | medium | 1 | 0 | organic molecular entity | |
albendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
4-amino-3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid; amino acid zwitterion; gamma-amino acid | |
amlexanox | [no description available] | medium | 1 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
amlodipine | [no description available] | medium | 3 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
arecoline | [no description available] | medium | 1 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
arotinolol | [no description available] | medium | 1 | 0 | aromatic amide; thiophenes | |
atenolol | [no description available] | medium | 1 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
benzocaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
biperiden | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
bupivacaine | [no description available] | medium | 1 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
verapamil | [no description available] | medium | 2 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
cannabinol | [no description available] | medium | 1 | 0 | dibenzopyran | |
carbamazepine | [no description available] | medium | 1 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
carbetapentane | [no description available] | medium | 1 | 0 | benzenes | |
clobazam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator |
clonazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
cycloleucine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
cyclothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
dimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | |
valproic acid | [no description available] | medium | 1 | 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 |
ethosuximide | [no description available] | medium | 1 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
ethotoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
felbamate | [no description available] | medium | 1 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
gabapentin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
glutethimide | [no description available] | medium | 1 | 0 | piperidines | |
guvacine | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine | GABA reuptake inhibitor; plant metabolite |
ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
iproniazid | [no description available] | medium | 1 | 0 | carbohydrazide; pyridines | |
lamotrigine | [no description available] | medium | 1 | 0 | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic |
mephenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
metharbital | [no description available] | medium | 1 | 0 | organic molecular entity | |
moclobemide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
acecainide | [no description available] | medium | 1 | 0 | acetamides; benzamides | anti-arrhythmia drug |
deoxyepinephrine | [no description available] | medium | 1 | 0 | catecholamine | |
nicardipine | [no description available] | medium | 5 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
nicardipine | [no description available] | medium | 5 | 2 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nimetazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; GABA modulator; sedative |
nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
nipecotic acid | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid | |
nisoldipine | [no description available] | medium | 1 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nitrendipine | [no description available] | medium | 1 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
phenacemide | [no description available] | medium | 1 | 0 | acetamides | |
phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
riluzole | [no description available] | medium | 2 | 0 | benzothiazoles | |
sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulthiame | [no description available] | medium | 1 | 0 | organic molecular entity | |
trimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant; geroprotector |
vigabatrin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
zonisamide | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
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 |
carbachol | [no description available] | medium | 1 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
metaraminol | [no description available] | medium | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
physostigmine | [no description available] | medium | 1 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
caramiphen | [no description available] | medium | 1 | 0 | benzenes | |
methsuximide | [no description available] | medium | 1 | 0 | organic molecular entity | |
phthalimide | [no description available] | medium | 1 | 0 | phthalimides | |
phensuximide | [no description available] | medium | 1 | 0 | pyrrolidines | |
amido-g-acid | [no description available] | medium | 1 | 0 | | |
cyclopentamine | [no description available] | medium | 1 | 0 | secondary amino compound | |
caprolactam | [no description available] | medium | 1 | 0 | caprolactams | human blood serum metabolite |
mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
paramethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant |
cyclopentanone | [no description available] | medium | 1 | 0 | cyclopentanones | Maillard reaction product |
benactyzine | [no description available] | medium | 1 | 0 | diarylmethane | |
phetharbital | [no description available] | medium | 1 | 0 | barbiturates | |
prenylamine | [no description available] | medium | 1 | 0 | diarylmethane | |
beclamide | [no description available] | medium | 1 | 0 | benzenes | |
chlormethiazole | [no description available] | medium | 1 | 0 | thiazoles | |
glybuthiazol | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
pronarcon | [no description available] | medium | 1 | 0 | barbiturates | |
improsan | [no description available] | medium | 1 | 0 | organosulfonic ester | |
iproclozide | [no description available] | medium | 1 | 0 | aromatic ether | |
aminopentamide | [no description available] | medium | 1 | 0 | diarylmethane | |
benomyl | [no description available] | medium | 1 | 0 | aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator |
alclofenac | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
carticaine | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
amoscanate | [no description available] | medium | 1 | 0 | C-nitro compound; isothiocyanate; secondary amino compound | schistosomicide drug |
amoxicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
adinazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | anticonvulsant; antidepressant; anxiolytic drug; sedative |
diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
progabide | [no description available] | medium | 1 | 0 | diarylmethane | |
lidamidine | [no description available] | medium | 1 | 0 | ureas | |
acifran | [no description available] | medium | 1 | 0 | | |
tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
adenosine | [no description available] | medium | 1 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
d-lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
heptenophos | [no description available] | medium | 1 | 0 | organochlorine compound; organophosphate insecticide; trialkyl phosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
trihexyphenidyl hydrochloride | [no description available] | medium | 1 | 0 | aralkylamine | |
g 29505 | [no description available] | medium | 1 | 0 | methoxybenzenes | |
acefylline | [no description available] | medium | 1 | 0 | oxopurine | |
dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
aceclofenac | [no description available] | medium | 1 | 0 | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
amphotalide | [no description available] | medium | 1 | 0 | phthalimides | |
fluoresone | [no description available] | medium | 1 | 0 | sulfonamide | |
agroclavine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
n-(hydroxymethyl)nicotinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | |
proline | [no description available] | medium | 1 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
camphora | [no description available] | medium | 1 | 0 | camphor | |
tevenel | [no description available] | medium | 1 | 0 | sulfonamide | |
fluoracizine | [no description available] | medium | 1 | 0 | phenothiazines | |
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 |
arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
cannabidiol | [no description available] | medium | 1 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
cinromide | [no description available] | medium | 1 | 0 | cinnamamides; secondary carboxamide | |
flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
benztropine | [no description available] | medium | 1 | 0 | diarylmethane | |
albutoin | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
adrafinil | [no description available] | medium | 1 | 0 | diarylmethane | |
linoleic acid | [no description available] | medium | 1 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
gemeprost | [no description available] | medium | 1 | 0 | aliphatic alcohol | |
topiramate | [no description available] | medium | 1 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
furazolidone | [no description available] | medium | 1 | 0 | | |
zr-512 | [no description available] | medium | 1 | 0 | ethyl ester; farnesane sesquiterpenoid | juvenile hormone mimic |
nidroxyzone | [no description available] | medium | 1 | 0 | C-nitro compound; furans | |
azimilide | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
imidacloprid | [no description available] | medium | 1 | 0 | imidacloprid; imidazolidines; monochloropyridine | environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
pk 11195 | [no description available] | medium | 1 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
pd 173074 | [no description available] | medium | 1 | 0 | aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist |
abt 702 | [no description available] | medium | 1 | 0 | bipyridines | |
bicalutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
chelerythrine | [no description available] | medium | 1 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
furosemide | [no description available] | medium | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
gossypol | [no description available] | medium | 1 | 0 | | |
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 |
indirubin-3'-monoxime | [no description available] | medium | 1 | 0 | | |
leflunomide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
letrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
lg 100268 | [no description available] | medium | 1 | 0 | | |
metformin | [no description available] | medium | 1 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
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 |
olprinone | [no description available] | medium | 1 | 0 | bipyridines | |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
pioglitazone | [no description available] | medium | 1 | 0 | aromatic ether; pyridines; thiazolidinediones | antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic |
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | [no description available] | medium | 1 | 0 | indoles | |
sb 206553 | [no description available] | medium | 1 | 0 | pyrroloindole | |
sb 220025 | [no description available] | medium | 1 | 0 | aminopyrimidine; imidazoles; organofluorine compound; piperidines | angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sb 202190 | [no description available] | medium | 1 | 0 | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sk&f 86002 | [no description available] | medium | 1 | 0 | imidazoles | |
imatinib | [no description available] | medium | 1 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulfasalazine | [no description available] | medium | 1 | 0 | | |
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine | [no description available] | medium | 1 | 0 | stilbenoid | |
troglitazone | [no description available] | medium | 2 | 0 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
formestane | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
amiloride hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | diuretic; sodium channel blocker |
acadesine | [no description available] | medium | 1 | 0 | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor |
cladribine | [no description available] | medium | 1 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
zidovudine | [no description available] | medium | 1 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
lonidamine | [no description available] | medium | 1 | 0 | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
simvastatin | [no description available] | medium | 1 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
itraconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
pravadoline | [no description available] | medium | 1 | 0 | | |
zileuton | [no description available] | medium | 1 | 0 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
niguldipine | [no description available] | medium | 1 | 0 | diarylmethane | |
topotecan | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
eliprodil | [no description available] | medium | 1 | 0 | monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound | |
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 |
verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
bendamustine | [no description available] | medium | 1 | 0 | benzimidazoles | |
caroverine | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
cgs 9343b | [no description available] | medium | 1 | 0 | benzimidazoles | |
telmisartan | [no description available] | medium | 2 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
2-methoxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
ubenimex | [no description available] | medium | 1 | 0 | | |
vinpocetine | [no description available] | medium | 1 | 0 | | |
deguelin | [no description available] | medium | 1 | 0 | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
triptolide | [no description available] | medium | 1 | 0 | diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound | antispermatogenic agent; plant metabolite |
sr 48692 | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
elacridar | [no description available] | medium | 1 | 0 | | |
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 |
bay x 1005 | [no description available] | medium | 1 | 0 | | |
gyki 53655 | [no description available] | medium | 1 | 0 | | |
ml-3000 | [no description available] | medium | 1 | 0 | | |
cd 437 | [no description available] | medium | 1 | 0 | adamantanes; monocarboxylic acid; naphthoic acid; phenols | apoptosis inducer; retinoic acid receptor gamma agonist |
docetaxel anhydrous | [no description available] | medium | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
perifosine | [no description available] | medium | 1 | 0 | ammonium betaine; phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
mk 767 | [no description available] | medium | 1 | 0 | | |
bazedoxifene acetate | [no description available] | medium | 1 | 0 | | |
canertinib | [no description available] | medium | 1 | 0 | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
birb 796 | [no description available] | medium | 1 | 0 | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator |
tipifarnib | [no description available] | medium | 1 | 0 | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
sb 203580 | [no description available] | medium | 1 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
enzastaurin | [no description available] | medium | 1 | 0 | indoles; maleimides | |
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 |
piboserod | [no description available] | medium | 1 | 0 | | |
l 163191 | [no description available] | medium | 1 | 0 | | |
bd 1047 | [no description available] | medium | 1 | 0 | primary amine | |
lapatinib | [no description available] | medium | 1 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
sorafenib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
lenalidomide | [no description available] | medium | 1 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide | [no description available] | medium | 1 | 0 | aminoquinoline | |
sr 142806 | [no description available] | medium | 1 | 0 | | |
elesclomol | [no description available] | medium | 1 | 0 | carbohydrazide; thiocarbonyl compound | antineoplastic agent; apoptosis inducer |
nsc 663284 | [no description available] | medium | 1 | 0 | quinolone | |
bortezomib | [no description available] | medium | 1 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
bardoxolone methyl | [no description available] | medium | 1 | 0 | cyclohexenones | |
nsc 23766 | [no description available] | medium | 1 | 0 | aminopyrimidine; aminoquinoline; primary amino compound; secondary amino compound; tertiary amino compound | antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist |
gw 3965 | [no description available] | medium | 1 | 0 | diarylmethane | |
y 27632 | [no description available] | medium | 1 | 0 | aromatic amide | |
6-bromoindirubin-3'-oxime | [no description available] | medium | 1 | 0 | | |
purvalanol b | [no description available] | medium | 1 | 0 | purvalanol | protein kinase inhibitor |
y-700 | [no description available] | medium | 1 | 0 | | |
repsox | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
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 | |
s 1033 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
mercaptopurine | [no description available] | medium | 1 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
rg108 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
stf 083010 | [no description available] | medium | 1 | 0 | | |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | [no description available] | medium | 1 | 0 | naphthalenecarboxamide | |
cct018159 | [no description available] | medium | 1 | 0 | benzodioxine; pyrazoles; resorcinols | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
secinh3 | [no description available] | medium | 1 | 0 | triazoles | |
jk184 | [no description available] | medium | 1 | 0 | | |
tamoxifen citrate | [no description available] | medium | 1 | 0 | citrate salt | angiogenesis inhibitor; anticoronaviral agent |
hc-067047 | [no description available] | medium | 1 | 0 | | |
bi-78d3 | [no description available] | medium | 1 | 0 | aryl sulfide | |
gsk 3787 | [no description available] | medium | 1 | 0 | | |
methyl-thiohydantoin-tryptophan | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
LSM-1318 | [no description available] | medium | 1 | 0 | oxa-steroid | |
rwj 67657 | [no description available] | medium | 1 | 0 | | |
6-methyl-2-(phenylethynyl)pyridine | [no description available] | medium | 1 | 0 | acetylenic compound; methylpyridines | anxiolytic drug; metabotropic glutamate receptor antagonist |
bms 387032 | [no description available] | medium | 1 | 0 | 1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
tandutinib | [no description available] | medium | 1 | 0 | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
vx-745 | [no description available] | medium | 1 | 0 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
corlanor | [no description available] | medium | 1 | 0 | hydrochloride | cardiotonic drug |
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 |
zd 6474 | [no description available] | medium | 1 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
compound 968 | [no description available] | medium | 1 | 0 | benzophenanthridine | EC 3.5.1.2 (glutaminase) inhibitor |
sb-224289 | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound | serotonergic antagonist |
gw 7647 | [no description available] | medium | 1 | 0 | aryl sulfide; monocarboxylic acid; ureas | PPARalpha agonist |
l 663536 | [no description available] | medium | 1 | 0 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine | [no description available] | medium | 1 | 0 | imidazoles | |
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine | [no description available] | medium | 1 | 0 | aromatic amine; tertiary amino compound | |
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester | [no description available] | medium | 1 | 0 | isoquinolines | |
sch 79797 | [no description available] | medium | 1 | 0 | quinazolines | |
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | [no description available] | medium | 1 | 0 | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one | [no description available] | medium | 1 | 0 | monobactam | |
imd 0354 | [no description available] | medium | 1 | 0 | benzamides | |
ex 527 | [no description available] | medium | 1 | 0 | carbazoles; monocarboxylic acid amide; organochlorine compound | |
quercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
genistein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
fenretinide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
ter 199 | [no description available] | medium | 1 | 0 | | |
arachidonylcyclopropylamide | [no description available] | medium | 1 | 0 | | |
ly 320135 | [no description available] | medium | 1 | 0 | benzofurans | |
pd 166285 | [no description available] | medium | 1 | 0 | | |
kn 62 | [no description available] | medium | 1 | 0 | piperazines | |
su 6656 | [no description available] | medium | 1 | 0 | | |
semaxinib | [no description available] | medium | 1 | 0 | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
su 11248 | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
palbociclib | [no description available] | medium | 1 | 0 | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
jnj-7706621 | [no description available] | medium | 1 | 0 | sulfonamide | |
cisplatin | [no description available] | medium | 1 | 0 | diamminedichloroplatinum | antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent |
vx680 | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
d 4476 | [no description available] | medium | 1 | 0 | imidazoles | |
cyc 116 | [no description available] | medium | 1 | 0 | | |
bay 19-8004 | [no description available] | medium | 1 | 0 | | |
axitinib | [no description available] | medium | 1 | 0 | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
pai 039 | [no description available] | medium | 1 | 0 | indole-3-acetic acids | |
gw2974 | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
ispinesib | [no description available] | medium | 1 | 0 | benzamides | |
temsirolimus | [no description available] | medium | 1 | 0 | macrolide lactam | |
pd 184352 | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
bibx 1382bs | [no description available] | medium | 1 | 0 | substituted aniline | |
hdac-42 | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | [no description available] | medium | 1 | 0 | benzamides; N-acylpiperidine | |
iniparib | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
mk 0752 | [no description available] | medium | 1 | 0 | | |
gw 501516 | [no description available] | medium | 1 | 0 | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
av 412 | [no description available] | medium | 1 | 0 | | |
ag-041r | [no description available] | medium | 1 | 0 | | |
telatinib | [no description available] | medium | 1 | 0 | | |
cp 547632 | [no description available] | medium | 1 | 0 | | |
spc-839 | [no description available] | medium | 1 | 0 | | |
lenvatinib | [no description available] | medium | 1 | 0 | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
andarine | [no description available] | medium | 1 | 0 | acetamides; anilide | |
gw843682x | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
pd 0325901 | [no description available] | medium | 1 | 0 | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
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 |
ag 14361 | [no description available] | medium | 1 | 0 | benzimidazoles | |
sb 265610 | [no description available] | medium | 1 | 0 | | |
fr 148083 | [no description available] | medium | 1 | 0 | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
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 |
osi 930 | [no description available] | medium | 1 | 0 | aromatic amide | |
ki 20227 | [no description available] | medium | 1 | 0 | | |
scio-469 | [no description available] | medium | 1 | 0 | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
ssr 69071 | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
pi103 | [no description available] | medium | 1 | 0 | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
sb 210313 | [no description available] | medium | 1 | 0 | | |
gw 4064 | [no description available] | medium | 1 | 0 | stilbenoid | |
sa 4503 | [no description available] | medium | 1 | 0 | | |
ic 87114 | [no description available] | medium | 1 | 0 | 6-aminopurines; biaryl; quinazolines | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
zibotentan | [no description available] | medium | 1 | 0 | phenylpyridine | |
tivozanib | [no description available] | medium | 1 | 0 | aromatic ether | |
hki 272 | [no description available] | medium | 1 | 0 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
tofacitinib | [no description available] | medium | 1 | 0 | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
bibr 1532 | [no description available] | medium | 1 | 0 | | |
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | [no description available] | medium | 1 | 0 | | |
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 |
cediranib | [no description available] | medium | 1 | 0 | aromatic ether | |
gw0742 | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
ps1145 | [no description available] | medium | 1 | 0 | beta-carbolines | |
bay 41-8543 | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
chir 99021 | [no description available] | medium | 1 | 0 | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
sb 525334 | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
way-362450 | [no description available] | medium | 1 | 0 | indoles | |
masitinib | [no description available] | medium | 1 | 0 | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor |
bx795 | [no description available] | medium | 1 | 0 | ureas | |
pazopanib | [no description available] | medium | 1 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
sepantronium | [no description available] | medium | 1 | 0 | organic cation | |
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 |
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea | [no description available] | medium | 1 | 0 | | |
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | [no description available] | medium | 1 | 0 | 1,3,4-oxadiazoles; benzamides; biphenyls; nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
ar c155858 | [no description available] | medium | 1 | 0 | | |
aee 788 | [no description available] | medium | 1 | 0 | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug |
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 |
sd-208 | [no description available] | medium | 1 | 0 | | |
vx 702 | [no description available] | medium | 1 | 0 | phenylpyridine | |
volasertib | [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 |
azd 7762 | [no description available] | medium | 1 | 0 | aromatic amide; thiophenes | |
krp-203 | [no description available] | medium | 1 | 0 | | |
mk 0354 | [no description available] | medium | 1 | 0 | | |
regorafenib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester | [no description available] | medium | 1 | 0 | pyrroloquinoline | |
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | [no description available] | medium | 1 | 0 | methoxybenzenes; substituted aniline | |
brivanib | [no description available] | medium | 1 | 0 | aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist |
icg 001 | [no description available] | medium | 1 | 0 | peptide | |
mp470 | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
nu 7441 | [no description available] | medium | 1 | 0 | dibenzothiophenes | |
at 7519 | [no description available] | medium | 1 | 0 | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
bi 2536 | [no description available] | medium | 1 | 0 | | |
danusertib | [no description available] | medium | 1 | 0 | piperazines | |
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
abt 869 | [no description available] | medium | 1 | 0 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
dorsomorphin | [no description available] | medium | 1 | 0 | aromatic ether; piperidines; pyrazolopyrimidine; pyridines | bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
ac 261066 | [no description available] | medium | 1 | 0 | | |
carfilzomib | [no description available] | medium | 1 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
gw9508 | [no description available] | medium | 1 | 0 | aromatic amine | |
jnj 26854165 | [no description available] | medium | 1 | 0 | | |
pf 573228 | [no description available] | medium | 1 | 0 | quinolines | |
gw 2580 | [no description available] | medium | 1 | 0 | | |
idelalisib | [no description available] | medium | 1 | 0 | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
crizotinib | [no description available] | medium | 1 | 0 | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile | [no description available] | medium | 1 | 0 | benzimidazoles | |
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
osi 906 | [no description available] | medium | 1 | 0 | cyclobutanes; quinolines | |
ly2109761 | [no description available] | medium | 1 | 0 | | |
chir-265 | [no description available] | medium | 1 | 0 | aromatic ether | |
motesanib | [no description available] | medium | 1 | 0 | pyridinecarboxamide | |
az-628 | [no description available] | medium | 1 | 0 | benzamides | |
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 |
pf-562,271 | [no description available] | medium | 1 | 0 | indoles | |
veliparib | [no description available] | medium | 1 | 0 | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
ku-0060648 | [no description available] | medium | 1 | 0 | dibenzothiophenes | |
dactolisib | [no description available] | medium | 1 | 0 | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
palomid 529 | [no description available] | medium | 1 | 0 | | |
tosedostat | [no description available] | medium | 1 | 0 | carboxylic ester; hydroxamic acid; secondary carboxamide | |
mdv 3100 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent |
ku 60019 | [no description available] | medium | 1 | 0 | | |
gsk 461364 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide | [no description available] | medium | 1 | 0 | | |
nvp-tae684 | [no description available] | medium | 1 | 0 | piperidines | |
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide | [no description available] | medium | 1 | 0 | | |
gsk 269962a | [no description available] | medium | 1 | 0 | | |
a-83-01 | [no description available] | medium | 1 | 0 | | |
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one | [no description available] | medium | 1 | 0 | indoles | |
vx-770 | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; phenols; quinolone | CFTR potentiator; orphan drug |
buparlisib | [no description available] | medium | 1 | 0 | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
azd 1480 | [no description available] | medium | 1 | 0 | | |
fedratinib | [no description available] | medium | 1 | 0 | sulfonamide | |
gsk690693 | [no description available] | medium | 1 | 0 | 1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
cnf 2024 | [no description available] | medium | 1 | 0 | 2-aminopurines; aromatic ether; organochlorine compound; pyridines | antineoplastic agent; Hsp90 inhibitor |
ku 0063794 | [no description available] | medium | 1 | 0 | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor |
azd 7545 | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent |
nutlin-3b | [no description available] | medium | 1 | 0 | Nutlin; piperazinone | anticoronaviral agent |
pf 04217903 | [no description available] | medium | 1 | 0 | quinolines | |
gdc 0941 | [no description available] | medium | 1 | 0 | indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
sm 164 | [no description available] | medium | 1 | 0 | benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; radiosensitizing agent |
ph 797804 | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
pha 408 | [no description available] | medium | 1 | 0 | | |
gsk 1016790a | [no description available] | medium | 1 | 0 | 1-benzothiophenes; aromatic primary alcohol; dichlorobenzene; N-acylpiperazine; sulfonamide; tertiary carboxamide | TRPV4 agonist |
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 |
srt1720 | [no description available] | medium | 1 | 0 | | |
plx 4720 | [no description available] | medium | 1 | 0 | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
cx 4945 | [no description available] | medium | 1 | 0 | | |
cudc 101 | [no description available] | medium | 1 | 0 | | |
mln 8237 | [no description available] | medium | 1 | 0 | benzazepine | |
lde225 | [no description available] | medium | 1 | 0 | aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
gdc 0449 | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
sgx 523 | [no description available] | medium | 1 | 0 | aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine | c-Met tyrosine kinase inhibitor; nephrotoxic agent |
bms 777607 | [no description available] | medium | 1 | 0 | aromatic amide | |
sgi 1776 | [no description available] | medium | 1 | 0 | imidazoles | |
pci 32765 | [no description available] | medium | 1 | 0 | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
ponatinib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor |
amg 900 | [no description available] | medium | 1 | 0 | | |
mk-1775 | [no description available] | medium | 1 | 0 | piperazines | |
bag956 | [no description available] | medium | 1 | 0 | | |
quizartinib | [no description available] | medium | 1 | 0 | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis 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 | |
tak 733 | [no description available] | medium | 1 | 0 | | |
mk 2206 | [no description available] | medium | 1 | 0 | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
navitoclax | [no description available] | medium | 1 | 0 | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
sns 314 | [no description available] | medium | 1 | 0 | ureas | |
jzl 184 | [no description available] | medium | 1 | 0 | benzodioxoles | |
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | [no description available] | medium | 1 | 0 | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
dcc-2036 | [no description available] | medium | 1 | 0 | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
cabozantinib | [no description available] | medium | 1 | 0 | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide | [no description available] | medium | 1 | 0 | benzamides | |
incb-018424 | [no description available] | medium | 1 | 0 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
bix 01294 | [no description available] | medium | 1 | 0 | piperidines | |
pf 3845 | [no description available] | medium | 1 | 0 | piperidines | |
gsk 2126458 | [no description available] | medium | 1 | 0 | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
ixazomib | [no description available] | medium | 1 | 0 | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor |
ldn 193189 | [no description available] | medium | 1 | 0 | pyrimidines | |
plx4032 | [no description available] | medium | 1 | 0 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol | [no description available] | medium | 1 | 0 | biphenyls | |
gsk 1363089 | [no description available] | medium | 1 | 0 | aromatic ether | |
kin-193 | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
bay 869766 | [no description available] | medium | 1 | 0 | | |
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester | [no description available] | medium | 1 | 0 | carbamate ester | |
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone | [no description available] | medium | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
cp 466722 | [no description available] | medium | 1 | 0 | quinazolines | |
CAY10626 | [no description available] | medium | 1 | 0 | ureas | |
thiopental sodium | [no description available] | medium | 1 | 0 | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor |
pha 793887 | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
nvp-bsk805 | [no description available] | medium | 1 | 0 | | |
xmd 8-92 | [no description available] | medium | 1 | 0 | pyrimidobenzodiazepine | protein kinase inhibitor |
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 |
jnj38877605 | [no description available] | medium | 1 | 0 | quinolines | |
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide | [no description available] | medium | 1 | 0 | benzothiazoles | |
torin 1 | [no description available] | medium | 1 | 0 | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
ly2940680 | [no description available] | medium | 1 | 0 | | |
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea | [no description available] | medium | 1 | 0 | ureas | |
ro 4929097 | [no description available] | medium | 1 | 0 | dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound | EC 3.4.23.46 (memapsin 2) inhibitor |
gsk4112 | [no description available] | medium | 1 | 0 | | |
torin 2 | [no description available] | medium | 1 | 0 | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor |
pf-4708671 | [no description available] | medium | 1 | 0 | | |
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide | [no description available] | medium | 1 | 0 | benzamides; N-acylpiperidine | |
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | [no description available] | medium | 1 | 0 | aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes | |
belinostat | [no description available] | medium | 1 | 0 | olefinic compound | |
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate | [no description available] | medium | 1 | 0 | carboxylic acid; pyrroline | |
a 769662 | [no description available] | medium | 1 | 0 | biphenyls | |
LimKi 3 | [no description available] | medium | 1 | 0 | 1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide | LIM kinase inhibitor |
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone | [no description available] | medium | 1 | 0 | pyrroles | |
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole | [no description available] | medium | 1 | 0 | dipyrrins | |
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide | [no description available] | medium | 1 | 0 | tryptamines | |
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione | [no description available] | medium | 1 | 0 | pyrazines | |
gsk837149a | [no description available] | medium | 1 | 0 | | |
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide | [no description available] | medium | 1 | 0 | quinazolines | |
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide | [no description available] | medium | 1 | 0 | quinazolines | |
wnt-c59 | [no description available] | medium | 1 | 0 | | |
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime | [no description available] | medium | 1 | 0 | indanes | |
chir 258 | [no description available] | medium | 1 | 0 | | |
osi 027 | [no description available] | medium | 1 | 0 | | |
hli 373 | [no description available] | medium | 1 | 0 | | |
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 |
sildenafil citrate | [no description available] | medium | 1 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
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 |
xav939 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; thiopyranopyrimidine | tankyrase inhibitor |
2-carboxyarabinitol 1-phosphate | [no description available] | medium | 1 | 0 | | |
nintedanib | [no description available] | medium | 1 | 0 | | |
ver 52296 | [no description available] | medium | 1 | 0 | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor |
sb-590885 | [no description available] | medium | 1 | 0 | aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound | |
pf-477736 | [no description available] | medium | 1 | 0 | | |
fenobam | [no description available] | medium | 1 | 0 | ureas | |
captopril | [no description available] | medium | 74 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
captopril | [no description available] | medium | 74 | 8 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
benazepril | [no description available] | medium | 1 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
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 |
digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
temocapril hydrochloride | [no description available] | medium | 1 | 0 | dipeptide | |
enalapril | [no description available] | high | 6 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
angiotensin ii | [no description available] | medium | 8 | 1 | amino acid zwitterion; angiotensin II | human metabolite |
candesartan cilexetil | [no description available] | medium | 3 | 0 | biphenyls | |
desacetyl-alacepril | [no description available] | medium | 7 | 0 | | |
7-ketocholesterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; 7-oxo steroid; cholestanoid | neuroprotective agent |
candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
sparfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
creatine | [no description available] | medium | 2 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
atrial natriuretic factor | [no description available] | medium | 4 | 2 | polypeptide | |
natriuretic peptide, brain | [no description available] | medium | 2 | 1 | polypeptide | |
forasartan | [no description available] | medium | 2 | 0 | benzenes; pyridines; tetrazoles; triazoles | angiotensin receptor antagonist; antihypertensive agent |
losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
cyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
bradykinin | [no description available] | medium | 4 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
isoproterenol | [no description available] | medium | 1 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
isosorbide dinitrate | [no description available] | medium | 1 | 1 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
D-fructopyranose | [no description available] | medium | 2 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
icatibant | [no description available] | medium | 1 | 0 | | |
thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
angiotensin i | [no description available] | medium | 2 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
lisinopril | [no description available] | high | 3 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
uric acid | [no description available] | medium | 2 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
deoxyguanosine | [no description available] | medium | 1 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 1 | 0 | guanosines | biomarker |
trichlormethiazide | [no description available] | medium | 1 | 1 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
camostat | [no description available] | medium | 1 | 1 | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
gabexate | [no description available] | medium | 1 | 1 | benzoate ester | |
ramipril | [no description available] | high | 1 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
rentiapril | [no description available] | medium | 1 | 0 | | |
aldosterone | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
3-mercaptopropionic acid | [no description available] | medium | 1 | 0 | mercaptopropanoic acid | algal metabolite |
thiazolidines | [no description available] | medium | 1 | 0 | thiazolidine | |
enalaprilat anhydrous | [no description available] | high | 1 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
ci 906 | [no description available] | low | 0 | 0 | hydrochloride | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
quinapril | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
cilazapril, anhydrous | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
fosinoprilat | [no description available] | low | 0 | 0 | L-proline derivative; phosphinic acids | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
perindoprilat | [no description available] | medium | 0 | 0 | dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound | antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
corilagin | [no description available] | low | 0 | 0 | ellagitannin; gallate ester | antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug |
zofenopril | [no description available] | low | 0 | 0 | aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester | anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent |
perindopril | [no description available] | low | 0 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
quinaprilat | [no description available] | low | 0 | 0 | dicarboxylic acid; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent |
perindopril erbumine | [no description available] | low | 0 | 0 | addition compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
spiraprilat | [no description available] | medium | 0 | 0 | azaspiro compound; dicarboxylic acid; dipeptide; dithioketal; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide | antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
zofenoprilate | [no description available] | low | 0 | 0 | aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol | anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent |
spirapril | [no description available] | medium | 0 | 0 | azaspiro compound; dicarboxylic acid monoester; dipeptide; dithioketal; ethyl ester; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
lotensin | [no description available] | low | 0 | 0 | hydrochloride | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
enalapril maleate | [no description available] | low | 0 | 0 | maleate salt | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
benazeprilat | [no description available] | low | 0 | 0 | benzazepine; dicarboxylic acid; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
ramiprilat | [no description available] | medium | 0 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid; dipeptide | bradykinin receptor B2 agonist; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor |
trandolaprilat | [no description available] | medium | 0 | 0 | dicarboxylic acid; dipeptide; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; human xenobiotic metabolite |
imidapril | [no description available] | medium | 0 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
imidaprilat | [no description available] | medium | 0 | 0 | dicarboxylic acid; dipeptide; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
trandolapril | [no description available] | medium | 0 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
nicotianamine | [no description available] | low | 0 | 0 | amino acid zwitterion; nicotianamine | chelator; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; plant metabolite |
alanylalanine | [no description available] | low | 0 | 0 | dipeptide | |
gliotoxin | [no description available] | low | 0 | 0 | dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole | antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor |
glycylglycine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | human metabolite |
moexipril hydrochloride | [no description available] | low | 0 | 0 | dipeptide | |
alitame | [no description available] | low | 0 | 0 | dipeptide | |
glutaurine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid | anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite |
leucyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
libenzapril | [no description available] | low | 0 | 0 | dipeptide | |
carbobenzoxyvalylphenylalanine aldehyde | [no description available] | low | 0 | 0 | aldehyde; carbamate ester; dipeptide | antileishmanial agent; apoptosis inhibitor; EC 3.4.22.52 (calpain-1) inhibitor; EC 3.4.22.53 (calpain-2) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor |
leucylleucine | [no description available] | low | 0 | 0 | dipeptide; L-aminoacyl-L-amino acid zwitterion | human metabolite; Mycoplasma genitalium metabolite |
phenylalanylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | plant metabolite |
leucyl-alanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
alanylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
tyrosylleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
Trp-Trp | [no description available] | low | 0 | 0 | dipeptide | Mycoplasma genitalium metabolite |
glycyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
gamma-glutamylglutamate | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
alanyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycyl-l-phenylalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | human metabolite; metabolite |
aspartyl-phenylalanine | [no description available] | low | 0 | 0 | dipeptide | human blood serum metabolite; human xenobiotic metabolite |
glycylsarcosine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | |
gamma-glutamyltyrosine | [no description available] | low | 0 | 0 | dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide | human metabolite |
alanylphenylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
tryptophylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycylaspartic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
n-glycylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
beta-aspartylglycine | [no description available] | low | 0 | 0 | dipeptide | |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite |
histidylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
histidinoalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
valylvaline | [no description available] | low | 0 | 0 | dipeptide | Mycoplasma genitalium metabolite |
tabtoxin | [no description available] | low | 0 | 0 | dipeptide; L-threonine derivative; monobactam; secondary alcohol | bacterial metabolite; toxin |
gamma-glutamylphenylalanine | [no description available] | low | 0 | 0 | dipeptide | human urinary metabolite |
anserine | [no description available] | low | 0 | 0 | beta-alanine derivative; dipeptide; zwitterion | animal metabolite; mouse metabolite |
maculosin | [no description available] | low | 0 | 0 | dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine | metabolite |
kyotorphin | [no description available] | low | 0 | 0 | dipeptide | |
glycylglutamine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite; protective agent |
alanylglutamine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
lysyllysine | [no description available] | low | 0 | 0 | dipeptide | Mycoplasma genitalium metabolite |
alanylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | |
chrysobactin | [no description available] | low | 0 | 0 | catechols; dipeptide; monocarboxylic acid; primary alcohol; primary amino compound | bacterial metabolite; siderophore |
n-acetylglutaminylglutamine amide | [no description available] | low | 0 | 0 | dipeptide | |
b 581 | [no description available] | low | 0 | 0 | dipeptide | EC 2.5.1.58 (protein farnesyltransferase) inhibitor; peptidomimetic |
carbocysteine-lysine | [no description available] | low | 0 | 0 | dipeptide | |
aspartame | [no description available] | low | 0 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
cysteinyltyrosine | [no description available] | low | 0 | 0 | dipeptide | |
phenylalanylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
gamma-glutamylglutamine | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
arginylproline | [no description available] | low | 0 | 0 | dipeptide | |
prolylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phenylalanylglutamate | [no description available] | low | 0 | 0 | dipeptide | metabolite |
aspartylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
aspartylglutamate | [no description available] | low | 0 | 0 | dipeptide | metabolite |
u-47929 | [no description available] | low | 0 | 0 | alkaloid; aziridines; dipeptide; pyrrolidines | antibacterial agent; bacterial metabolite; DNA synthesis inhibitor |
arginylarginine | [no description available] | low | 0 | 0 | dipeptide | Mycoplasma genitalium metabolite |
histidylphenylalanine | [no description available] | low | 0 | 0 | dipeptide | |
cysteinylcysteine | [no description available] | low | 0 | 0 | dipeptide | Mycoplasma genitalium metabolite |
prolyl-tyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
histidylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
pyroglutamylleucine | [no description available] | low | 0 | 0 | dipeptide | |
glycylphenylalanine 2-naphthylamide | [no description available] | low | 0 | 0 | dipeptide; N-(2-naphthyl)carboxamide | chromogenic compound |
leucylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
gamma-glu-asp | [no description available] | low | 0 | 0 | dipeptide | |
aspartyl-proline | [no description available] | low | 0 | 0 | dipeptide | |
lysylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
brevianamide f | [no description available] | low | 0 | 0 | dipeptide; indoles; pyrrolopyrazine | metabolite |
isospaglumic acid | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
histidylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
phenylalanylserine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
prolylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
4-aminobenzoylglutamic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; dipeptide; N-acyl-L-alpha-amino acid; substituted aniline | |
carnosine | [no description available] | low | 0 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
cysteinylglycine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
glutamyl-glutamic acid | [no description available] | low | 0 | 0 | dipeptide | Mycoplasma genitalium metabolite |
temocapril | [no description available] | low | 0 | 0 | dipeptide | |
phosphoramidon | [no description available] | low | 0 | 0 | deoxyaldohexose phosphate; dipeptide | bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor |
histidyl-proline diketopiperazine | [no description available] | low | 0 | 0 | dipeptide; homodetic cyclic peptide; imidazoles; pyrrolopyrazine | anti-inflammatory agent; dopamine uptake inhibitor; human blood serum metabolite |
isoleucylvaline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
aspartyl-aspartic acid | [no description available] | low | 0 | 0 | dipeptide | Mycoplasma genitalium metabolite |
Phe-Tyr | [no description available] | low | 0 | 0 | dipeptide | metabolite |
omapatrilat | [no description available] | low | 0 | 0 | dipeptide | |
n-glycylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycylvaline | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
glycylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
cysteinylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
prolyl-4-hydroxyproline | [no description available] | low | 0 | 0 | dipeptide | |
seryl-proline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
leukotriene d4 | [no description available] | low | 0 | 0 | dipeptide; leukotriene; organic sulfide | bronchoconstrictor agent; human metabolite; mouse metabolite |
leukotriene f-4 | [no description available] | low | 0 | 0 | dipeptide; leukotriene; organic sulfide | human metabolite |
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | [no description available] | low | 0 | 0 | carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
alanylalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | Mycoplasma genitalium metabolite |
imidapril | [no description available] | low | 0 | 0 | dipeptide | |
n-acetyl-beta-glucosaminyl-n-acetylmuramyl-alanylisoglutamine | [no description available] | low | 0 | 0 | dipeptide | |
phenylalanylalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
alpha-aspartylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
prolylglycine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | |
aspartyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
arginyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
Ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | [no description available] | low | 0 | 0 | dipeptide | anticoronaviral agent |
bentiromide | [no description available] | low | 0 | 0 | dipeptide | diagnostic agent; indicator; reagent |
golotimod | [no description available] | low | 0 | 0 | dipeptide | |
phenylalanylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
leucyl-phenylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glutamylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glutaminyl-glycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phenylalanylphenylalanine | [no description available] | low | 0 | 0 | dipeptide; L-aminoacyl-L-amino acid zwitterion | human blood serum metabolite; Mycoplasma genitalium metabolite |
histidylhistidine | [no description available] | low | 0 | 0 | dipeptide | Mycoplasma genitalium metabolite |
valylleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phenylalanyl-valine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
alanylglycine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
valyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
lysylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
seryl-histidine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
Ala-Lys | [no description available] | low | 0 | 0 | dipeptide | marine metabolite |
arginyl-glutamine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phenylalanylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
lysylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycylhistidine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
cyclo(leucyl-prolyl) | [no description available] | low | 0 | 0 | dipeptide; homodetic cyclic peptide; pyrrolopyrazine | bacterial metabolite; marine metabolite |
prolylisoleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
isoleucyl-tyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
prolyl-serine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
neotame | [no description available] | low | 0 | 0 | dipeptide | environmental contaminant; sweetening agent; xenobiotic |
prolylvaline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
tryprostatin b | [no description available] | low | 0 | 0 | dipeptide; indole alkaloid; indoles; pyrrolopyrazine | |
n-acetylcarnosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
tryprostatin a | [no description available] | low | 0 | 0 | aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine | breast cancer resistance protein inhibitor |
s-nitrosocysteinylglycine | [no description available] | low | 0 | 0 | dipeptide; nitroso compound; nitrosothio compound | |
homocarnosine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid | human metabolite |
gsk221149a | [no description available] | low | 0 | 0 | dipeptide | |
vx 765 | [no description available] | low | 0 | 0 | dipeptide | |
prolyl-proline | [no description available] | low | 0 | 0 | dipeptide | human urinary metabolite; Mycoplasma genitalium metabolite |
epelsiban | [no description available] | low | 0 | 0 | dipeptide | |
tyropeptin a | [no description available] | low | 0 | 0 | dipeptide | |
leucylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
tyrosyl-proline | [no description available] | low | 0 | 0 | dipeptide | |
id | [no description available] | low | 0 | 0 | dipeptide | |
gap 134 | [no description available] | low | 0 | 0 | dipeptide | |
vanchrobactin | [no description available] | low | 0 | 0 | catechols; dipeptide; guanidines; monocarboxylic acid; primary alcohol; triol | bacterial metabolite; marine metabolite; siderophore |
syringolin a | [no description available] | low | 0 | 0 | dipeptide | |
l-ala-gamma-d-glu-meso-diaminopimelic acid | [no description available] | low | 0 | 0 | dipeptide | |
Benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]carbamate | [no description available] | low | 0 | 0 | dipeptide | anticoronaviral agent |
birinapant | [no description available] | low | 0 | 0 | dipeptide | |
RF9 | [no description available] | low | 0 | 0 | dipeptide | kisspeptin receptor agonist; neuropeptide FF receptor agonist; neuropeptide FF receptor antagonist |
abt-267 | [no description available] | low | 0 | 0 | aromatic amide; carbamate ester; dipeptide; pyrrolidines | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |