Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
losartan | [no description available] | high | 39 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
losartan | [no description available] | high | 39 | 7 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
exp3174 | [no description available] | medium | 4 | 0 | biphenylyltetrazole; imidazoles; organochlorine compound | metabolite |
exp7711 | [no description available] | medium | 1 | 0 | | |
dmp 811 | [no description available] | medium | 2 | 0 | | |
phenytoin | [no description available] | medium | 5 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
acetaminophen | [no description available] | medium | 5 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
theophylline | [no description available] | medium | 4 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
amiodarone | [no description available] | medium | 3 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
anastrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
aspirin | [no description available] | medium | 5 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
bumetanide | [no description available] | medium | 3 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
busulfan | [no description available] | medium | 3 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
caffeine | [no description available] | medium | 4 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
candesartan | [no description available] | high | 39 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
candesartan | [no description available] | high | 39 | 13 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
carbamazepine | [no description available] | medium | 5 | 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 |
chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlorpromazine | [no description available] | medium | 5 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
cimetidine | [no description available] | medium | 5 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
ciprofloxacin | [no description available] | medium | 3 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
clofibrate | [no description available] | medium | 3 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clonazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
clonidine | [no description available] | medium | 1 | 0 | clonidine; imidazoline | |
dapsone | [no description available] | medium | 3 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diflunisal | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
diphenhydramine | [no description available] | medium | 3 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
valproic acid | [no description available] | medium | 6 | 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 |
domperidone | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
doxazosin | [no description available] | medium | 3 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
brl 42810 | [no description available] | medium | 2 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
flucytosine | [no description available] | medium | 2 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluphenazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
gabapentin | [no description available] | medium | 2 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
glimepiride | [no description available] | medium | 2 | 0 | sulfonamide | |
glipizide | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue |
glyburide | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
granisetron | [no description available] | medium | 1 | 0 | aromatic amide; indazoles | |
haloperidol | [no description available] | medium | 3 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hydrochlorothiazide | [no description available] | medium | 67 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydrochlorothiazide | [no description available] | medium | 67 | 28 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
imipramine | [no description available] | medium | 4 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
avapro | [no description available] | high | 26 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
avapro | [no description available] | high | 26 | 7 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
itraconazole | [no description available] | medium | 2 | 0 | piperazines | |
lansoprazole | [no description available] | medium | 2 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
letrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
metoclopramide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
milrinone | [no description available] | medium | 1 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
nevirapine | [no description available] | medium | 4 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nifedipine | [no description available] | medium | 8 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nimodipine | [no description available] | medium | 3 | 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 |
nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nizatidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
pantoprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
phenobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
prazosin | [no description available] | medium | 2 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
primidone | [no description available] | medium | 2 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
procainamide | [no description available] | medium | 3 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
protriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant |
raloxifene | [no description available] | medium | 3 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
risperidone | [no description available] | medium | 2 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
rizatriptan | [no description available] | medium | 1 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
rofecoxib | [no description available] | medium | 1 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
ropinirole | [no description available] | medium | 1 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
telenzepine | [no description available] | medium | 2 | 0 | benzodiazepine | |
tolbutamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
ultram | [no description available] | medium | 1 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
triamterene | [no description available] | medium | 2 | 0 | pteridines | diuretic; sodium channel blocker |
triazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | sedative |
trimethoprim | [no description available] | medium | 5 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
delavirdine | [no description available] | medium | 3 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
zaleplon | [no description available] | medium | 1 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
zolpidem | [no description available] | medium | 4 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
spironolactone | [no description available] | medium | 8 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
prednisone | [no description available] | medium | 3 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
penicillin g | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
chloramphenicol | [no description available] | medium | 2 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
physostigmine | [no description available] | medium | 2 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
ethinyl estradiol | [no description available] | medium | 4 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
cloxacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
norethindrone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
methylprednisolone | [no description available] | medium | 2 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
fluocortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
erythromycin | [no description available] | medium | 5 | 0 | cyclic ketone; erythromycin | |
levonorgestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
ethambutol | [no description available] | medium | 2 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
dronabinol | [no description available] | medium | 1 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
pimozide | [no description available] | medium | 2 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
stavudine | [no description available] | medium | 4 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
floxacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
levomethadone | [no description available] | medium | 1 | 0 | 6-(dimethylamino)-4,4-diphenylheptan-3-one | antitussive; mu-opioid receptor agonist; NMDA receptor antagonist; opioid analgesic |
phenylethylmalonamide | [no description available] | medium | 1 | 0 | amine | |
metopimazine | [no description available] | medium | 1 | 0 | phenothiazines | |
cephalexin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
metergoline | [no description available] | medium | 1 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
bromocriptine | [no description available] | medium | 1 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
zidovudine | [no description available] | medium | 5 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
ribavirin | [no description available] | medium | 3 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
diltiazem | [no description available] | medium | 3 | 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 |
dexibuprofen | [no description available] | medium | 1 | 0 | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
torsemide | [no description available] | medium | 2 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
idarubicin | [no description available] | medium | 1 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
endralazine | [no description available] | medium | 1 | 0 | benzamides | |
cefaclor anhydrous | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug; drug allergen |
pirazolac | [no description available] | medium | 1 | 0 | | |
lovastatin | [no description available] | medium | 3 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
simvastatin | [no description available] | medium | 3 | 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 |
pravastatin | [no description available] | medium | 15 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
pravastatin | [no description available] | medium | 15 | 1 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
atomoxetine | [no description available] | medium | 2 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
eproxindine | [no description available] | medium | 1 | 0 | | |
(S)-nomifensine | [no description available] | medium | 1 | 0 | nomifensine | |
(2S)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
topotecan | [no description available] | medium | 3 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
atorvastatin | [no description available] | medium | 6 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
lamivudine | [no description available] | medium | 4 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
ziprasidone | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
zolmitriptan | [no description available] | medium | 1 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
emtricitabine | [no description available] | medium | 3 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
pipothiazine | [no description available] | medium | 1 | 0 | | |
oseltamivir | [no description available] | medium | 2 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
repaglinide | [no description available] | medium | 3 | 0 | piperidines | |
dexfenfluramine | [no description available] | medium | 1 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
drospirenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; steroid lactone | aldosterone antagonist; contraceptive drug; progestin |
fenflumizole | [no description available] | medium | 1 | 0 | | |
prednisolone phosphate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone | anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug |
(S)-flurbiprofen | [no description available] | medium | 1 | 0 | flurbiprofen | |
atovaquone | [no description available] | medium | 2 | 0 | hydroxy-1,2-naphthoquinone | |
eletriptan | [no description available] | medium | 2 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
flunisolide | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
clarithromycin | [no description available] | medium | 3 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
moexipril | [no description available] | medium | 2 | 0 | peptide | |
lekoptin | [no description available] | medium | 2 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
tarenflurbil | [no description available] | medium | 1 | 0 | flurbiprofen | |
bosentan anhydrous | [no description available] | medium | 2 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
pramipexole | [no description available] | medium | 2 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
almotriptan | [no description available] | medium | 1 | 0 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
gefitinib | [no description available] | medium | 2 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
methotrexate | [no description available] | medium | 6 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
escitalopram | [no description available] | medium | 1 | 0 | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
levofloxacin | [no description available] | medium | 5 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
moxifloxacin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
disopyramide, (s)-isomer | [no description available] | medium | 1 | 0 | | |
isradipine, (s)-isomer | [no description available] | medium | 1 | 0 | | |
ketoprofen | [no description available] | medium | 1 | 0 | | |
quinidine | [no description available] | medium | 5 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
saquinavir | [no description available] | medium | 3 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
abacavir | [no description available] | medium | 3 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
linezolid | [no description available] | medium | 2 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
chloramphenicol palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester | |
tacrolimus | [no description available] | medium | 4 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
mycophenolic acid | [no description available] | medium | 3 | 0 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
melphalan | [no description available] | medium | 1 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chloroquine diphosphate | [no description available] | medium | 1 | 0 | chloroquine | |
dextromethadone | [no description available] | medium | 1 | 0 | 6-(dimethylamino)-4,4-diphenylheptan-3-one | NMDA receptor antagonist; opioid analgesic |
propylthiouracil | [no description available] | medium | 2 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
dexketoprofen | [no description available] | medium | 1 | 0 | benzophenones; monocarboxylic acid | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ondansetron, (s)-isomer | [no description available] | medium | 1 | 0 | | |
eszopiclone | [no description available] | medium | 1 | 0 | zopiclone | central nervous system depressant; sedative |
methimazole | [no description available] | medium | 2 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
digoxin | [no description available] | medium | 7 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
hmr 3647 | [no description available] | medium | 2 | 0 | | |
tocainide, (s)-isomer | [no description available] | medium | 1 | 0 | | |
calcitriol | [no description available] | medium | 2 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
clavulanic acid | [no description available] | medium | 2 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
pulmicort | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
montelukast | [no description available] | medium | 3 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
hydromorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
naloxone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
proscillaridin | [no description available] | medium | 1 | 0 | organic molecular entity | |
sirolimus | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
topiramate | [no description available] | medium | 3 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
morphine | [no description available] | medium | 3 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
fluticasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester | anti-allergic agent; anti-asthmatic drug |
nalbuphine | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 3 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
naltrexone | [no description available] | medium | 2 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
enalapril | [no description available] | medium | 7 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
trandolapril | [no description available] | medium | 1 | 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 |
(R)-citalopram | [no description available] | medium | 1 | 0 | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 1 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
nitrofurantoin | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
dutasteride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aza-steroid; delta-lactam | antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
gemifloxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
norfenfluramine | [no description available] | medium | 1 | 0 | amphetamines | |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
tetracycline | [no description available] | medium | 4 | 0 | | |
chlortetracycline | [no description available] | medium | 1 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
minocycline | [no description available] | medium | 4 | 0 | | |
methacycline | [no description available] | medium | 1 | 0 | | |
piroxicam | [no description available] | medium | 4 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
(S)-warfarin | [no description available] | medium | 1 | 0 | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one | |
rifampin | [no description available] | medium | 5 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
clozapine | [no description available] | medium | 5 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
sildenafil | [no description available] | medium | 1 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
vardenafil | [no description available] | medium | 1 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
aprepitant | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
aminolevulinic acid | [no description available] | medium | 2 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
amantadine | [no description available] | medium | 2 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
p-aminohippuric acid | [no description available] | medium | 2 | 0 | N-acylglycine | Daphnia magna metabolite |
verapamil | [no description available] | medium | 4 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
celecoxib | [no description available] | medium | 3 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
cetirizine | [no description available] | medium | 1 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
diclofenac | [no description available] | medium | 5 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
disopyramide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
fexofenadine | [no description available] | medium | 3 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
furosemide | [no description available] | medium | 5 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
loperamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
metformin | [no description available] | medium | 3 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
mitoxantrone | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
pilsicainide | [no description available] | medium | 1 | 0 | organic heterobicyclic compound; secondary carboxamide | anti-arrhythmia drug; sodium channel blocker |
pindolol | [no description available] | medium | 2 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
probenecid | [no description available] | medium | 4 | 0 | benzoic acids; sulfonamide | uricosuric drug |
ranitidine | [no description available] | medium | 4 | 0 | aralkylamine | |
imatinib | [no description available] | medium | 3 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
tetraethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
estrone | [no description available] | medium | 6 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
sulfobromophthalein sodium | [no description available] | medium | 1 | 0 | organic sodium salt | dye |
taurocholic acid | [no description available] | medium | 1 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
Berberine chloride (TN) | [no description available] | medium | 1 | 0 | organic molecular entity | |
dehydroepiandrosterone sulfate | [no description available] | medium | 2 | 0 | 17-oxo steroid; steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite |
vinblastine | [no description available] | medium | 1 | 0 | | |
1-methylpyridinium | [no description available] | medium | 1 | 0 | methylpyridines | |
amiloride | [no description available] | medium | 1 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
zalcitabine | [no description available] | medium | 3 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
paclitaxel | [no description available] | medium | 3 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
etoposide | [no description available] | medium | 3 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
captopril | [no description available] | medium | 11 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
cefadroxil anhydrous | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
adefovir | [no description available] | medium | 2 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
cidofovir anhydrous | [no description available] | medium | 2 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
irinotecan | [no description available] | medium | 1 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
valsartan | [no description available] | high | 73 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
valsartan | [no description available] | high | 73 | 23 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
efavirenz | [no description available] | medium | 2 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
telmisartan | [no description available] | medium | 42 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
telmisartan | [no description available] | medium | 42 | 12 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
ubenimex | [no description available] | medium | 1 | 0 | | |
zofenopril | [no description available] | medium | 3 | 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 |
lopinavir | [no description available] | medium | 1 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
glycylsarcosine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | |
tariquidar | [no description available] | medium | 1 | 0 | benzamides | |
varenicline | [no description available] | medium | 1 | 0 | | |
ritonavir | [no description available] | medium | 4 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
tryptoquivaline | [no description available] | medium | 1 | 0 | aromatic ether; indole alkaloid; organic heteropentacyclic compound | breast cancer resistance protein inhibitor; mycotoxin |
ouabain | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
tenofovir | [no description available] | medium | 2 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
estrone sulfate | [no description available] | medium | 5 | 0 | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
glycylproline | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | metabolite |
quinine | [no description available] | medium | 2 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
bilirubin | [no description available] | medium | 1 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
bilirubin diglucuronide | [no description available] | medium | 1 | 0 | | |
estradiol-17 beta-glucuronide | [no description available] | medium | 2 | 0 | 3-hydroxy steroid; steroid glucosiduronic acid | |
cyclosporine | [no description available] | medium | 3 | 0 | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
ceftizoxime | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
fosinopril | [no description available] | medium | 1 | 0 | | |
sincalide | [no description available] | medium | 2 | 0 | oligopeptide | |
taurocholic acid, monosodium salt | [no description available] | medium | 1 | 0 | bile salt | |
novobiocin | [no description available] | medium | 2 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
acyclovir | [no description available] | medium | 3 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
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 |
valacyclovir | [no description available] | medium | 2 | 0 | L-valyl ester | antiviral drug |
ethylene dichloride | [no description available] | medium | 1 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
ethylene glycol | [no description available] | medium | 1 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen; metabolite |
aminocaproic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
inositol | [no description available] | medium | 1 | 0 | cyclitol; hexol | |
melatonin | [no description available] | medium | 2 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
niacin | [no description available] | medium | 2 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
pyrazinamide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
pyridoxine | [no description available] | medium | 1 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | medium | 3 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2,4-dinitrophenol | [no description available] | medium | 1 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
tacrine | [no description available] | medium | 3 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acetazolamide | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetazolamide | [no description available] | medium | 4 | 2 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetohexamide | [no description available] | medium | 1 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
albendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
aminoglutethimide | [no description available] | medium | 1 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
amoxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
astemizole | [no description available] | medium | 2 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
atenolol | [no description available] | medium | 5 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
atenolol | [no description available] | medium | 5 | 1 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azathioprine | [no description available] | medium | 2 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
benzbromarone | [no description available] | medium | 5 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
bicalutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
bithionol | [no description available] | medium | 1 | 0 | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
bupivacaine | [no description available] | medium | 1 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
buspirone | [no description available] | medium | 2 | 0 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
chlorpropamide | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorzoxazone | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
ciclopirox | [no description available] | medium | 1 | 0 | cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone | antibacterial agent; antiseborrheic |
ciglitazone | [no description available] | medium | 1 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
ciprofibrate | [no description available] | medium | 2 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
cisapride | [no description available] | medium | 2 | 0 | benzamides | |
citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
clomiphene | [no description available] | medium | 1 | 0 | tertiary amine | estrogen antagonist; estrogen receptor modulator |
clomipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clotrimazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
cromolyn | [no description available] | medium | 2 | 0 | chromones; dicarboxylic acid | anti-asthmatic drug; calcium channel blocker |
desipramine | [no description available] | medium | 2 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
diethylcarbamazine | [no description available] | medium | 1 | 0 | N-carbamoylpiperazine; N-methylpiperazine | |
dimercaprol | [no description available] | medium | 1 | 0 | dithiol; primary alcohol | chelator |
dipyridamole | [no description available] | medium | 2 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
disulfiram | [no description available] | medium | 3 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
donepezil | [no description available] | medium | 3 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
ethosuximide | [no description available] | medium | 1 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | medium | 1 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
felbamate | [no description available] | medium | 2 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
fenofibrate | [no description available] | medium | 2 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
fipexide | [no description available] | medium | 1 | 0 | benzodioxoles | |
fluconazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flumazenil | [no description available] | medium | 1 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
fluorouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluoxetine | [no description available] | medium | 4 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
flurbiprofen | [no description available] | medium | 1 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fluspirilene | [no description available] | medium | 1 | 0 | diarylmethane | |
flutamide | [no description available] | medium | 4 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
foscarnet | [no description available] | medium | 1 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
gemfibrozil | [no description available] | medium | 1 | 0 | aromatic ether | antilipemic drug |
glafenine | [no description available] | medium | 2 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gliclazide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
glutethimide | [no description available] | medium | 1 | 0 | piperidines | |
hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
hycanthone | [no description available] | medium | 3 | 0 | thioxanthenes | mutagen; schistosomicide drug |
hydroxyurea | [no description available] | medium | 2 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
ibuprofen | [no description available] | medium | 5 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
phenelzine | [no description available] | medium | 2 | 0 | primary amine | |
lidocaine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
amrinone | [no description available] | medium | 1 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indomethacin | [no description available] | medium | 5 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
iproniazid | [no description available] | medium | 2 | 0 | carbohydrazide; pyridines | |
isocarboxazid | [no description available] | medium | 1 | 0 | benzenes | |
isoniazid | [no description available] | medium | 2 | 0 | carbohydrazide | antitubercular agent; drug allergen |
ketoconazole | [no description available] | medium | 3 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoprofen | [no description available] | medium | 2 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
ketotifen | [no description available] | medium | 1 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
labetalol | [no description available] | medium | 2 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
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 |
maprotiline | [no description available] | medium | 2 | 0 | anthracenes | |
mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meclofenamate sodium anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | |
mefenamic acid | [no description available] | medium | 3 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
memantine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
meprobamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
methapyrilene | [no description available] | medium | 1 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
nocodazole | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
methylphenidate | [no description available] | medium | 1 | 0 | beta-amino acid ester; methyl ester; piperidines | |
metolazone | [no description available] | medium | 1 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
mianserin | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
miconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nefazodone | [no description available] | medium | 2 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nimesulide | [no description available] | medium | 2 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
nisoldipine | [no description available] | medium | 3 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nisoldipine | [no description available] | medium | 3 | 1 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nomifensine | [no description available] | medium | 1 | 0 | isoquinolines | dopamine uptake inhibitor |
oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
oxibendazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester | |
aminosalicylic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid; phenols | antitubercular agent |
pamidronate | [no description available] | medium | 2 | 0 | phosphonoacetic acid | |
4-dichlorobenzene | [no description available] | medium | 1 | 0 | dichlorobenzene | insecticide |
pargyline | [no description available] | medium | 1 | 0 | aromatic amine | |
pemoline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | central nervous system stimulant |
perhexiline | [no description available] | medium | 3 | 0 | piperidines | cardiovascular drug |
phenacetin | [no description available] | medium | 2 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenylbutazone | [no description available] | medium | 2 | 0 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
pinacidil | [no description available] | medium | 1 | 0 | pyridines | |
pioglitazone | [no description available] | medium | 5 | 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 |
praziquantel | [no description available] | medium | 2 | 0 | isoquinolines | |
probucol | [no description available] | medium | 3 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propranolol | [no description available] | medium | 5 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
pyrimethamine | [no description available] | medium | 1 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
riluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
sulfabenzamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
sulfamethizole | [no description available] | medium | 1 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulfasalazine | [no description available] | medium | 3 | 0 | | |
sulfinpyrazone | [no description available] | medium | 1 | 0 | pyrazolidines; sulfoxide | uricosuric drug |
sulfobromophthalein | [no description available] | medium | 2 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
sumatriptan | [no description available] | medium | 1 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
gatifloxacin | [no description available] | medium | 1 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
ticlopidine | [no description available] | medium | 5 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tolazamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolmetin | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
trifluoperazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
trimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant; geroprotector |
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 |
ici 204,219 | [no description available] | medium | 3 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zomepirac | [no description available] | medium | 3 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
oxyphenonium | [no description available] | medium | 1 | 0 | acylcholine | |
cephaloridine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
sorbitol | [no description available] | medium | 1 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
floxuridine | [no description available] | medium | 2 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
isoproterenol hydrochloride | [no description available] | medium | 1 | 0 | catechols | |
promazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
idoxuridine | [no description available] | medium | 2 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
pilocarpine | [no description available] | medium | 1 | 0 | pilocarpine | antiglaucoma drug |
triiodothyronine | [no description available] | medium | 2 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
carbon tetrachloride | [no description available] | medium | 3 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
promethazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
levodopa | [no description available] | medium | 1 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
methoxamine hydrochloride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
dimethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | geroprotector; mutagen |
lactose | [no description available] | medium | 1 | 0 | lactose | |
primaquine phosphate | [no description available] | medium | 1 | 0 | | |
colchicine | [no description available] | medium | 3 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
gallamine triethiodide | [no description available] | medium | 1 | 0 | | |
uracil mustard | [no description available] | medium | 1 | 0 | aminouracil; nitrogen mustard | |
chloroform | [no description available] | medium | 1 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
medroxyprogesterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
mestranol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
arginine | [no description available] | medium | 3 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
arginine | [no description available] | medium | 3 | 1 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
tromethamine | [no description available] | medium | 1 | 0 | primary amino compound; triol | buffer |
trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
cyclizine | [no description available] | medium | 1 | 0 | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
diquat | [no description available] | medium | 1 | 0 | organic cation | defoliant; herbicide |
isosorbide dinitrate | [no description available] | medium | 2 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
2-bromophenol | [no description available] | medium | 1 | 0 | bromophenol | marine metabolite |
pyridostigmine bromide | [no description available] | medium | 1 | 0 | pyridinium salt | |
4,4'-diaminodiphenylmethane | [no description available] | medium | 1 | 0 | aromatic amine | allergen; carcinogenic agent |
phenylisothiocyanate | [no description available] | medium | 1 | 0 | isothiocyanate | allergen; reagent |
4-bromophenol | [no description available] | medium | 1 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
2-bromoethylamine | [no description available] | medium | 1 | 0 | | |
allyl alcohol | [no description available] | medium | 1 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
bromobenzene | [no description available] | medium | 1 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
n-pentanoic acid | [no description available] | medium | 1 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
imipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
edrophonium chloride | [no description available] | medium | 1 | 0 | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
di-n-pentyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | plasticiser |
cinchophen | [no description available] | medium | 1 | 0 | quinolines | |
phenazopyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
tetrracaine hydrochloride | [no description available] | medium | 1 | 0 | benzoate ester | |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
ethynodiol diacetate | [no description available] | medium | 1 | 0 | steroid ester; terminal acetylenic compound | contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive |
hydrazine | [no description available] | medium | 1 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
monocrotaline | [no description available] | medium | 1 | 0 | pyrrolizidine alkaloid | |
azacitidine | [no description available] | medium | 2 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
pseudoephedrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | plant metabolite |
procarbazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
betamethasone | [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; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
cyproterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
lithocholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
amitriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
1-naphthylisothiocyanate | [no description available] | medium | 1 | 0 | isothiocyanate | insecticide |
isoxsuprine hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
betaine hydrochloride | [no description available] | medium | 1 | 0 | | |
acetylcysteine | [no description available] | medium | 3 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
3-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides; phenols | non-narcotic analgesic |
methoxyacetic acid | [no description available] | medium | 1 | 0 | ether; monocarboxylic acid | antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen |
cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 1 | 0 | hydrochloride | |
vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
ibufenac | [no description available] | medium | 1 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
paraquat | [no description available] | medium | 1 | 0 | organic cation | geroprotector; herbicide |
streptomycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
clonidine hydrochloride | [no description available] | medium | 1 | 0 | dichlorobenzene | |
cladribine | [no description available] | medium | 1 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
ethylene dimethanesulfonate | [no description available] | medium | 1 | 0 | | |
mexiletine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
beclomethasone dipropionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester | anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug |
vidarabine | [no description available] | medium | 2 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
metoclopramide hydrochloride | [no description available] | medium | 1 | 0 | | |
carbendazim | [no description available] | medium | 1 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
ethionine | [no description available] | medium | 1 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
danazol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
disopyramide phosphate | [no description available] | medium | 1 | 0 | organoammonium phosphate | |
ursodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
butylated hydroxytoluene | [no description available] | medium | 2 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
amoxicillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
pirprofen | [no description available] | medium | 2 | 0 | pyrroline | |
serentil | [no description available] | medium | 1 | 0 | organosulfonate salt | dopaminergic antagonist; first generation antipsychotic |
tobramycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
propafenone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
carbidopa | [no description available] | medium | 1 | 0 | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
cephradine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
ticrynafen | [no description available] | medium | 4 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
methyldopa | [no description available] | medium | 2 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
bezafibrate | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
sq-11725 | [no description available] | medium | 1 | 0 | | |
benoxaprofen | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes | antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist |
permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
flecainide acetate | [no description available] | medium | 1 | 0 | acetate salt | anti-arrhythmia drug |
nicardipine hydrochloride | [no description available] | medium | 1 | 0 | dihydropyridine | geroprotector |
epirubicin | [no description available] | medium | 1 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
indacrinone | [no description available] | medium | 1 | 0 | | |
paroxetine | [no description available] | medium | 2 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
butoconazole nitrate | [no description available] | medium | 1 | 0 | aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt | |
fialuridine | [no description available] | medium | 1 | 0 | | |
mitoxantrone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
cefotetan | [no description available] | medium | 1 | 0 | | |
tolrestat | [no description available] | medium | 1 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
bambuterol | [no description available] | medium | 1 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
quinapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
alpidem | [no description available] | medium | 2 | 0 | imidazoles | |
temafloxacin | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound | |
clinafloxacin | [no description available] | medium | 1 | 0 | quinolines | |
zileuton | [no description available] | medium | 2 | 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 |
mibefradil | [no description available] | medium | 2 | 0 | tetralins | T-type calcium channel blocker |
bromfenac | [no description available] | medium | 2 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
tasosartan | [no description available] | medium | 2 | 0 | biphenyls | |
saquinavir monomethanesulfonate | [no description available] | medium | 1 | 0 | organic molecular entity | |
adenosine | [no description available] | medium | 3 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
adenosine | [no description available] | medium | 3 | 1 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
allyl formate | [no description available] | medium | 1 | 0 | | |
desferrioxamine b mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antidote; ferroptosis inhibitor; iron chelator |
bupropion hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
trazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
trovafloxacin | [no description available] | medium | 1 | 0 | | |
verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
ciprofloxacin hydrochloride anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
amantadine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist |
dobutamine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
iopamidol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | |
trimethobenzamide monohydrochloride | [no description available] | medium | 1 | 0 | | |
amiloride hydrochloride | [no description available] | medium | 1 | 0 | hydrate | diuretic; sodium channel blocker |
econazole nitrate | [no description available] | medium | 1 | 0 | | |
sertraline | [no description available] | medium | 3 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
lomefloxacin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antimicrobial agent; antitubercular agent; photosensitizing agent |
flunoxaprofen | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; monocarboxylic acid; organofluorine compound | antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist |
tianeptine | [no description available] | medium | 1 | 0 | dibenzothiazepine; monocarboxylic acid; organochlorine compound | |
loperamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
grepafloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
2-naphthylisothiocyanate | [no description available] | medium | 1 | 0 | | |
rosiglitazone | [no description available] | medium | 3 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
chloroquine diphosphate | [no description available] | medium | 1 | 0 | | |
orphenadrine citrate | [no description available] | medium | 1 | 0 | citrate salt | H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
ketorolac tromethamine | [no description available] | medium | 1 | 0 | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
n-(3,5-dichlorophenyl)succinimide | [no description available] | medium | 1 | 0 | pyrrolidines | |
phentolamine mesylate | [no description available] | medium | 1 | 0 | | |
oxybutynin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
cordium | [no description available] | medium | 1 | 0 | hydrate; hydrochloride | |
nsc-141549 | [no description available] | medium | 1 | 0 | | |
cox 189 | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
naproxen | [no description available] | medium | 4 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
biotin | [no description available] | medium | 1 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
aflatoxin b1 | [no description available] | medium | 1 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
troleandomycin | [no description available] | medium | 3 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
lapatinib | [no description available] | medium | 1 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
fludrocortisone acetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone | |
vincristine sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
acivicin | [no description available] | medium | 1 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
glucosamine | [no description available] | medium | 2 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
puromycin | [no description available] | medium | 1 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
taurolithocholic acid | [no description available] | medium | 1 | 0 | bile acid taurine conjugate; monocarboxylic acid amide | human metabolite |
(+)-limonene | [no description available] | medium | 1 | 0 | limonene | plant metabolite |
griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
cefoxitin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
moxalactam disodium | [no description available] | medium | 1 | 0 | | |
mometasone furoate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester | anti-allergic agent; anti-inflammatory drug |
nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
erythromycin estolate | [no description available] | medium | 1 | 0 | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
kanamycin sulfate | [no description available] | medium | 1 | 0 | aminoglycoside sulfate salt | antibacterial drug; geroprotector |
paromomycin sulfate | [no description available] | medium | 1 | 0 | | |
calcium pantothenate | [no description available] | medium | 1 | 0 | polymer | |
doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
maleic acid | [no description available] | medium | 1 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
tretinoin | [no description available] | medium | 2 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
cyanoginosin lr | [no description available] | medium | 1 | 0 | microcystin | bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic |
cerivastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
zithromax | [no description available] | medium | 3 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
drf 2725 | [no description available] | medium | 1 | 0 | | |
dactinomycin | [no description available] | medium | 2 | 0 | actinomycin | mutagen |
azaserine | [no description available] | medium | 1 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
arsenic trioxide | [no description available] | medium | 1 | 0 | arsenic oxide | antineoplastic agent; insecticide |
idarubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
carbenoxolone sodium | [no description available] | medium | 1 | 0 | triterpenoid | |
mercaptopurine | [no description available] | medium | 3 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
thiothixene | [no description available] | medium | 1 | 0 | N-methylpiperazine | anticoronaviral agent |
sulindac | [no description available] | medium | 2 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
capsaicin | [no description available] | medium | 2 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
thioguanine anhydrous | [no description available] | medium | 2 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
(1R,2S)-tranylcypromine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
thioacetamide | [no description available] | medium | 1 | 0 | thiocarboxamide | hepatotoxic agent |
streptozocin | [no description available] | medium | 1 | 0 | | |
tamoxifen | [no description available] | medium | 3 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
tolcapone | [no description available] | medium | 1 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
retinol palmitate | [no description available] | medium | 1 | 0 | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
vitamin d 2 | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
amphotericin b | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
eprosartan | [no description available] | medium | 6 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
timolol maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
chlorpheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
clemastine fumarate | [no description available] | medium | 1 | 0 | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
methylergonovine maleate | [no description available] | medium | 1 | 0 | ergoline alkaloid | geroprotector |
entacapone | [no description available] | medium | 2 | 0 | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
acitretin | [no description available] | medium | 1 | 0 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
ly 163892 | [no description available] | medium | 1 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
furazolidone | [no description available] | medium | 1 | 0 | | |
fluvoxamine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
octylmethoxycinnamate | [no description available] | medium | 1 | 0 | cinnamate ester | |
lisinopril | [no description available] | medium | 3 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
benazepril | [no description available] | medium | 1 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
trientine hydrochloride | [no description available] | medium | 1 | 0 | | |
dextromethorphan hydrobromide | [no description available] | medium | 1 | 0 | hydrate; hydrobromide | |
indinavir sulfate | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt | |
ximelagatran | [no description available] | medium | 1 | 0 | amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor |
ceftazidime | [no description available] | medium | 2 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
fenoterol | [no description available] | medium | 1 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
aztreonam | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
diphenoxylate hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidiarrhoeal drug |
ergonovine maleate | [no description available] | medium | 1 | 0 | maleate salt | diagnostic agent; oxytocic |
dantrolene sodium | [no description available] | medium | 1 | 0 | | |
molindone hydrochloride | [no description available] | medium | 1 | 0 | indoles | |
baci-im | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
cytidine diphosphate choline | [no description available] | medium | 1 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
clindamycin hydrochloride | [no description available] | medium | 1 | 0 | S-glycosyl compound | |
quinine sulfate | [no description available] | medium | 1 | 0 | hydrate | |
cefotiam hydrochloride | [no description available] | medium | 1 | 0 | | |
potassium aminobenzoate | [no description available] | medium | 1 | 0 | | |
ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
methicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
nafcillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
penicillin g sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug |
cephapirin sodium | [no description available] | medium | 1 | 0 | cephalosporin; organic sodium salt | antibacterial drug |
sodium cephalothin | [no description available] | medium | 1 | 0 | organic sodium salt | |
dicloxacillin sodium | [no description available] | medium | 1 | 0 | hydrate | |
azlocillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
ascorbic acid | [no description available] | medium | 2 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
acenocoumarol | [no description available] | medium | 1 | 0 | C-nitro compound; hydroxycoumarin; methyl ketone | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
mobic | [no description available] | medium | 2 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
isoxicam | [no description available] | medium | 1 | 0 | benzothiazine; isoxazoles; monocarboxylic acid amide | antirheumatic drug; non-steroidal anti-inflammatory drug |
warfarin | [no description available] | medium | 5 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
chlortetracycline hydrochloride | [no description available] | medium | 1 | 0 | | |
sudoxicam | [no description available] | medium | 1 | 0 | | |
methacycline monohydrochloride | [no description available] | medium | 1 | 0 | | |
minocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
folic acid | [no description available] | medium | 1 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
dacarbazine | [no description available] | medium | 2 | 0 | dacarbazine | |
didanosine | [no description available] | medium | 3 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
allopurinol | [no description available] | medium | 2 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
citrovorum factor | [no description available] | medium | 1 | 0 | tetrahydrofolic acid | |
rifabutin | [no description available] | medium | 1 | 0 | | |
candesartan cilexetil | [no description available] | medium | 6 | 0 | biphenyls | |
dup 532 | [no description available] | medium | 1 | 0 | | |
gr 117289 | [no description available] | medium | 1 | 0 | 1-benzofurans; biaryl; imidazolyl carboxylic acid; monocarboxylic acid; organobromine compound; organochlorine compound; tetrazoles | angiotensin receptor antagonist; antihypertensive agent |
sc 51316 | [no description available] | medium | 1 | 0 | | |
3-((2'-carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3h-imidazo(4,5-b)pyridine | [no description available] | medium | 1 | 0 | | |
a 81988 | [no description available] | medium | 1 | 0 | | |
ici d8731 | [no description available] | medium | 1 | 0 | | |
forasartan | [no description available] | medium | 1 | 0 | benzenes; pyridines; tetrazoles; triazoles | angiotensin receptor antagonist; antihypertensive agent |
up 269-6 | [no description available] | medium | 1 | 0 | | |
mk 996 | [no description available] | medium | 1 | 0 | | |
me 3221 | [no description available] | medium | 1 | 0 | | |
l 158809 | [no description available] | medium | 1 | 0 | | |
cv 11194 | [no description available] | medium | 1 | 0 | | |
milfasartan | [no description available] | medium | 1 | 0 | | |
pratosartan | [no description available] | high | 1 | 0 | biphenylyltetrazole | antihypertensive agent |
azilsartan | [no description available] | medium | 12 | 0 | 1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid | angiotensin receptor antagonist; antihypertensive agent |
azilsartan | [no description available] | medium | 12 | 3 | 1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid | angiotensin receptor antagonist; antihypertensive agent |
terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
exp-3179 | [no description available] | medium | 2 | 0 | | |
amlodipine | [no description available] | medium | 106 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
amlodipine | [no description available] | medium | 106 | 51 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
amodiaquine | [no description available] | medium | 3 | 0 | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
sulfamethoxazole | [no description available] | medium | 1 | 0 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
aminopyrine | [no description available] | medium | 2 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
clopidogrel | [no description available] | medium | 1 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
olanzapine | [no description available] | medium | 2 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
cefmetazole | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
cefoperazone | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
rosuvastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide | anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic |
cefpiramide | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
coumarin | [no description available] | medium | 2 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
glycine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
amitriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amsacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
carmustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
chloroquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
cilostazol | [no description available] | medium | 1 | 0 | lactam; tetrazoles | anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
etidronate | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
hydralazine | [no description available] | medium | 14 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
hydroxyzine | [no description available] | medium | 1 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
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 |
mecamylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
meclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
meperidine | [no description available] | medium | 1 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
mepivacaine | [no description available] | medium | 1 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
methocarbamol | [no description available] | medium | 2 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
midodrine | [no description available] | medium | 1 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
modafinil | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfoxide | |
nilutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
omeprazole | [no description available] | medium | 3 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
orphenadrine | [no description available] | medium | 1 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
oxybutynin | [no description available] | medium | 1 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
oxyphenbutazone | [no description available] | medium | 1 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
phenoxybenzamine | [no description available] | medium | 1 | 0 | aromatic amine | |
phentermine | [no description available] | medium | 1 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
prochlorperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
pyridostigmine | [no description available] | medium | 1 | 0 | pyridinium ion | |
pyrilamine | [no description available] | medium | 1 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
risedronic acid | [no description available] | medium | 2 | 0 | pyridines | |
sotalol | [no description available] | medium | 1 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
sulfaphenazole | [no description available] | medium | 2 | 0 | primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor |
sulpiride | [no description available] | medium | 2 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
terazosin | [no description available] | medium | 2 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
venlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
estriol | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
metaraminol | [no description available] | medium | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
zoxazolamine | [no description available] | medium | 2 | 0 | benzoxazole | |
leucine | [no description available] | medium | 2 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
methamphetamine | [no description available] | medium | 1 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
phendimetrazine | [no description available] | medium | 1 | 0 | | |
sulfadoxine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
beclomethasone | [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; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug |
selegiline | [no description available] | medium | 1 | 0 | selegiline; terminal acetylenic compound | geroprotector |
clemastine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
carbimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
triamcinolone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
remoxipride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
finasteride | [no description available] | medium | 1 | 0 | 3-oxo steroid; aza-steroid; delta-lactam | androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
uk 68798 | [no description available] | medium | 1 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
hyoscyamine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
menthofuran | [no description available] | medium | 1 | 0 | 1-benzofurans; monoterpenoid | nematicide; plant metabolite |
meropenem | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
metyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
diethylstilbestrol | [no description available] | medium | 1 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
leuprolide | [no description available] | medium | 1 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
ipratropium | [no description available] | medium | 1 | 0 | | |
alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
cyproterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
hydrocodone | [no description available] | medium | 1 | 0 | morphinane-like compound; organic heteropentacyclic compound | antitussive; mu-opioid receptor agonist; opioid analgesic |
oxymorphone | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
nateglinide | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
butorphanol | [no description available] | medium | 1 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
indinavir sulfate | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
ceftriaxone | [no description available] | medium | 2 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
dantrolene | [no description available] | medium | 1 | 0 | | |
gentamicin sulfate | [no description available] | medium | 1 | 0 | | |
homatropine methylbromide | [no description available] | medium | 1 | 0 | | |
amodiaquine hydrochloride | [no description available] | medium | 1 | 0 | | |
alprenolol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
bepridil | [no description available] | medium | 2 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
flecainide | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
mephenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
metoprolol | [no description available] | medium | 4 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
mexiletine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
nicardipine | [no description available] | medium | 2 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
propafenone | [no description available] | medium | 1 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
prednisolone | [no description available] | medium | 2 | 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 |
benzydamine | [no description available] | medium | 1 | 0 | aromatic ether; indazoles; tertiary amino compound | analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug |
bufuralol | [no description available] | medium | 1 | 0 | benzofurans | |
flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
dextromethorphan | [no description available] | medium | 1 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
mobiflex | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
2-chloro-n(6)cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
4-(1h-imidazol-4-ylmethyl)piperidine | [no description available] | medium | 1 | 0 | piperidines | |
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | [no description available] | medium | 1 | 0 | | |
nalorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
fr 190997 | [no description available] | medium | 1 | 0 | | |
sr 14150 | [no description available] | medium | 1 | 0 | | |
4-[3-(1H-imidazol-5-yl)propyl]piperidine | [no description available] | medium | 1 | 0 | aralkylamine | |
olmesartan medoxomil | [no description available] | medium | 32 | 0 | biphenyls | |
olmesartan medoxomil | [no description available] | medium | 32 | 3 | biphenyls | |
gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
biphenyl-2-carboxylic acid | [no description available] | medium | 1 | 0 | | |
honokiol | [no description available] | medium | 2 | 0 | biphenyls | |
lycopene | [no description available] | medium | 2 | 0 | acyclic carotene | antioxidant; plant metabolite |
gw 3965 | [no description available] | medium | 1 | 0 | diarylmethane | |
t0901317 | [no description available] | medium | 1 | 0 | | |
cinanserin | [no description available] | medium | 1 | 0 | aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound | anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
glaucocalyxin a | [no description available] | medium | 1 | 0 | | |
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 |
lfm a13 | [no description available] | medium | 1 | 0 | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
acp-196 | [no description available] | medium | 1 | 0 | aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
pleconaril | [no description available] | medium | 1 | 0 | | |
4-(2-aminoethyl)benzenesulfonylfluoride | [no description available] | medium | 1 | 0 | | |
2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
camostat | [no description available] | medium | 1 | 0 | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
camphor, (+-)-isomer | [no description available] | medium | 1 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
cetylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
danthron | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator; protective agent |
ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
2-hexyloxybenzamide | [no description available] | medium | 1 | 0 | aromatic ether; benzamides | antifungal agent |
gabexate | [no description available] | medium | 1 | 0 | benzoate ester | |
glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
fasudil | [no description available] | medium | 3 | 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 |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
hexylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
beta-thujaplicin | [no description available] | medium | 1 | 0 | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
kojic acid | [no description available] | medium | 1 | 0 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
lapachol | [no description available] | medium | 1 | 0 | | |
loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | medium | 1 | 0 | benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
mafenide | [no description available] | medium | 1 | 0 | aromatic amine | |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
entinostat | [no description available] | medium | 1 | 0 | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
ethylmaleimide | [no description available] | medium | 1 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nafamostat | [no description available] | medium | 1 | 0 | benzoic acids; guanidines | |
osalmide | [no description available] | medium | 1 | 0 | organic molecular entity | |
oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
palmidrol | [no description available] | medium | 1 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
pimobendan | [no description available] | medium | 1 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
pj-34 | [no description available] | medium | 1 | 0 | phenanthridines; secondary carboxamide; tertiary amino compound | angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent |
promazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
promethazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
rimantadine | [no description available] | medium | 1 | 0 | alkylamine | |
rolipram | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
scriptaid | [no description available] | medium | 1 | 0 | isoquinolines | |
sebacic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite; plant metabolite |
fenofibrate | [no description available] | medium | 1 | 0 | benzochromenone; delta-lactone; naphtho-alpha-pyrone | platelet aggregation inhibitor; Sir2 inhibitor |
suprofen | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
thalidomide | [no description available] | medium | 1 | 0 | phthalimides; piperidones | |
triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
trigonelline | [no description available] | medium | 1 | 0 | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides; tertiary amino compound | antiemetic |
tyrphostin a9 | [no description available] | medium | 1 | 0 | alkylbenzene | geroprotector |
vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
lysine | [no description available] | medium | 2 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
cycloheximide | [no description available] | medium | 1 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
ficusin | [no description available] | medium | 1 | 0 | psoralens | plant metabolite |
tubercidin | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
trifluridine | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
salicylanilide | [no description available] | medium | 1 | 0 | benzanilide fungicide; salicylamides; salicylanilides | |
gramine | [no description available] | medium | 1 | 0 | aminoalkylindole; indole alkaloid; tertiary amino compound | antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist |
aminacrine | [no description available] | medium | 1 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
methyl gallate | [no description available] | medium | 1 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
monobenzone | [no description available] | medium | 1 | 0 | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator; copper chelator |
catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant; plant metabolite |
lucanthone | [no description available] | medium | 1 | 0 | thioxanthenes | adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug |
cepharanthine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
aloe emodin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
emetine | [no description available] | medium | 1 | 0 | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; coumarins | metabolite |
flavanone | [no description available] | medium | 1 | 0 | flavanones | |
phloretic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | plant metabolite |
oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
angelicin | [no description available] | medium | 1 | 0 | furanocoumarin | |
diperodon | [no description available] | medium | 1 | 0 | carbamate ester | |
megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
metformin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | environmental contaminant; hypoglycemic agent; xenobiotic |
antimycin a | [no description available] | medium | 1 | 0 | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide |
5,5'-dimethyl-2,2'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridines | |
dichlorobenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols; dichlorobenzene | antiseptic drug |
dideoxyadenosine | [no description available] | medium | 1 | 0 | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
3-deazaadenosine | [no description available] | medium | 1 | 0 | | |
ancitabine | [no description available] | medium | 1 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
chloropyramine | [no description available] | medium | 1 | 0 | aminopyridine | |
levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
n'-nitrosonornicotine | [no description available] | medium | 1 | 0 | pyridines; pyrrolidines | |
daunorubicin | [no description available] | medium | 3 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
pyridoxal phosphate | [no description available] | medium | 1 | 0 | pyridinecarbaldehyde | |
nitazoxanide | [no description available] | medium | 1 | 0 | benzamides; carboxylic ester | |
oltipraz | [no description available] | medium | 1 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
fiacitabine | [no description available] | medium | 1 | 0 | | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
brequinar | [no description available] | medium | 1 | 0 | biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
celgosivir | [no description available] | medium | 1 | 0 | | |
gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
zanamivir | [no description available] | medium | 1 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
octyl gallate | [no description available] | medium | 1 | 0 | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite |
nelfinavir | [no description available] | medium | 1 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
betulinic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite |
arctigenin | [no description available] | medium | 1 | 0 | lignan | |
baicalin | [no description available] | medium | 1 | 0 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
plerixafor | [no description available] | medium | 1 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
amprenavir | [no description available] | medium | 1 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
epigallocatechin gallate | [no description available] | medium | 1 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | medium | 1 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
cephalotaxine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound | |
desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
aloxistatin | [no description available] | medium | 2 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
propazole | [no description available] | medium | 1 | 0 | benzimidazoles | |
prulifloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; quinolone antibiotic | |
bergenin | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | metabolite |
zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
artemisinin | [no description available] | medium | 1 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
brinzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thienothiazine | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
oxprenolol hydrochloride | [no description available] | medium | 1 | 0 | | |
opipramol hydrochloride | [no description available] | medium | 1 | 0 | | |
moroxydine | [no description available] | medium | 1 | 0 | biguanides | |
thioxolone | [no description available] | medium | 1 | 0 | benzoxathiole | antiseborrheic |
nobiletin | [no description available] | medium | 1 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
lycorine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor |
leupeptin | [no description available] | medium | 1 | 0 | aldehyde; tripeptide | bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
calpeptin | [no description available] | medium | 1 | 0 | amino acid amide | |
fangchinoline | [no description available] | medium | 1 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle | anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite |
maslinic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
loganin | [no description available] | medium | 1 | 0 | beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol | anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite |
aucubin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
catalpol | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
n-methyladenosine | [no description available] | medium | 1 | 0 | methyladenosine | |
sivelestat | [no description available] | medium | 1 | 0 | N-acylglycine; pivalate ester | |
pyronaridine | [no description available] | medium | 1 | 0 | aminoquinoline | |
geniposide | [no description available] | medium | 1 | 0 | terpene glycoside | |
daidzin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
sophocarpine | [no description available] | medium | 1 | 0 | | |
marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
elacridar | [no description available] | medium | 1 | 0 | | |
celastrol | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
vadimezan | [no description available] | medium | 1 | 0 | monocarboxylic acid; xanthones | antineoplastic agent |
e 64 | [no description available] | medium | 1 | 0 | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
umifenovir | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
safinamide | [no description available] | medium | 1 | 0 | amino acid amide | |
ilomastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
atazanavir | [no description available] | medium | 1 | 0 | carbohydrazide | antiviral drug; HIV protease inhibitor |
vx 497 | [no description available] | medium | 1 | 0 | | |
bcx 1812 | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
celastrol methyl ester | [no description available] | medium | 1 | 0 | carboxylic ester | |
resiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | |
tanshinone ii a | [no description available] | medium | 1 | 0 | abietane diterpenoid | |
anacardic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; hydroxybenzoic acid | anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite |
migalastat | [no description available] | medium | 1 | 0 | piperidines | |
erlotinib | [no description available] | medium | 1 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
limonin | [no description available] | medium | 1 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
scutellarin | [no description available] | medium | 1 | 0 | glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antineoplastic agent; proteasome inhibitor |
etravirine | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic ether; dinitrile; organobromine compound | antiviral agent; HIV-1 reverse transcriptase inhibitor |
chelidonine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
4-n-butylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
darunavir | [no description available] | medium | 1 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
dapivirine | [no description available] | medium | 1 | 0 | | |
nsc 74859 | [no description available] | medium | 1 | 0 | amidobenzoic acid; monohydroxybenzoic acid; tosylate ester | STAT3 inhibitor |
berbamine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
u-104 | [no description available] | medium | 1 | 0 | | |
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | glycoside | |
bortezomib | [no description available] | medium | 1 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
tizoxanide | [no description available] | medium | 1 | 0 | salicylamides | |
arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
conessine | [no description available] | medium | 1 | 0 | steroid alkaloid; tertiary amino compound | antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite |
cephaelin | [no description available] | medium | 1 | 0 | pyridoisoquinoline | |
(-)-usnic acid | [no description available] | medium | 1 | 0 | usnic acid | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
acetylleucyl-leucyl-norleucinal | [no description available] | medium | 1 | 0 | aldehyde; tripeptide | cysteine protease inhibitor |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
roflumilast | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound | anti-asthmatic drug; phosphodiesterase IV inhibitor |
L-cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
h 89 | [no description available] | medium | 1 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
bevirimat | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid | HIV-1 maturation inhibitor; metabolite |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 1 | 0 | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
posaconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
gw 257406x | [no description available] | medium | 1 | 0 | | |
shikonin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide | [no description available] | medium | 1 | 0 | tropane alkaloid | |
cmx 001 | [no description available] | medium | 1 | 0 | | |
amd 8664 | [no description available] | medium | 1 | 0 | | |
bay 41-4109 | [no description available] | medium | 1 | 0 | | |
bay 57-1293 | [no description available] | medium | 1 | 0 | | |
2'-c-methylcytidine | [no description available] | medium | 1 | 0 | | |
isoxanthohumol | [no description available] | medium | 1 | 0 | flavanones | |
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | [no description available] | medium | 1 | 0 | aromatic ether | |
mecarbinate | [no description available] | medium | 1 | 0 | | |
acetyl-aspartyl-glutamyl-valyl-aspartal | [no description available] | medium | 1 | 0 | tetrapeptide | protease inhibitor |
octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
jrf 12 | [no description available] | medium | 1 | 0 | | |
3,4'-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
3-(3,4-dimethoxyphenyl)propenoic acid | [no description available] | medium | 1 | 0 | methoxycinnamic acid | |
isoferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | antioxidant; biomarker; metabolite |
cyclouridine | [no description available] | medium | 1 | 0 | | |
curcumin | [no description available] | medium | 1 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
zucapsaicin | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
nbd 556 | [no description available] | medium | 1 | 0 | | |
4,5,6,7-tetrachloroindan-1,3-dione | [no description available] | medium | 1 | 0 | | |
srpin340 | [no description available] | medium | 1 | 0 | | |
pr-619 | [no description available] | medium | 1 | 0 | | |
p5091 | [no description available] | medium | 1 | 0 | | |
trovirdine | [no description available] | medium | 1 | 0 | | |
fti 277 | [no description available] | medium | 1 | 0 | | |
u 0126 | [no description available] | medium | 2 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
vicriviroc | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
orlistat | [no description available] | medium | 1 | 0 | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
dasatinib | [no description available] | medium | 1 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
yya-021 | [no description available] | medium | 1 | 0 | | |
sb 415286 | [no description available] | medium | 1 | 0 | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
tak-220 | [no description available] | medium | 1 | 0 | | |
jtk-303 | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone | HIV-1 integrase inhibitor |
nbd 557 | [no description available] | medium | 1 | 0 | | |
5'-o-caffeoylquinic acid | [no description available] | medium | 1 | 0 | cinnamate ester; cyclitol carboxylic acid | plant metabolite |
luteolin-7-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
cyclosporine | [no description available] | medium | 1 | 0 | | |
harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
mycophenolate mofetil | [no description available] | medium | 1 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
amentoflavone | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite |
baicalein | [no description available] | medium | 1 | 0 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
genkwanin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | metabolite |
hyperoside | [no description available] | medium | 1 | 0 | beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
mangostin | [no description available] | medium | 1 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
3-methylquercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
kaempferide | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone | antihypertensive agent; metabolite |
orientin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
scutellarein | [no description available] | medium | 1 | 0 | tetrahydroxyflavone | metabolite |
trans-2,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | stilbenoid | |
polydatin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
chicoric acid | [no description available] | medium | 1 | 0 | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
acteoside | [no description available] | medium | 1 | 0 | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
benzyloxycarbonyl-phe-ala-fluormethylketone | [no description available] | medium | 1 | 0 | | |
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | [no description available] | medium | 2 | 0 | carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
casticin | [no description available] | medium | 1 | 0 | dihydroxyflavone; tetramethoxyflavone | apoptosis inducer; plant metabolite |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; resorcinols; stilbenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor |
tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
pd 151746 | [no description available] | medium | 1 | 0 | | |
verteporfin | [no description available] | medium | 1 | 0 | | |
batimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
solanesol | [no description available] | medium | 1 | 0 | nonaprenol; primary alcohol | plant metabolite |
pepstatin | [no description available] | medium | 1 | 0 | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
l 685458 | [no description available] | medium | 1 | 0 | carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic |
bms 806 | [no description available] | medium | 1 | 0 | | |
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 1 | 0 | | |
tulobuterol hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
salubrinal | [no description available] | medium | 1 | 0 | aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas | |
germacrone | [no description available] | medium | 1 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid | [no description available] | medium | 1 | 0 | | |
lithospermic acid | [no description available] | medium | 1 | 0 | | |
laq824 | [no description available] | medium | 1 | 0 | | |
ekb 569 | [no description available] | medium | 1 | 0 | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
rilpivirine | [no description available] | medium | 1 | 0 | aminopyrimidine; nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor |
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | [no description available] | medium | 1 | 0 | germacranolide | |
4,5-di-O-caffeoylquinic acid | [no description available] | medium | 1 | 0 | quinic acid | |
indigo carmine | [no description available] | medium | 1 | 0 | | |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | [no description available] | medium | 1 | 0 | oligopeptide | |
vildagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
belinostat | [no description available] | medium | 1 | 0 | hydroxamic acid; olefinic compound; sulfonamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
hdac-42 | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
chlorhexidine | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
gs-7340 | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester | antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug |
iniparib | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | [no description available] | medium | 1 | 0 | | |
pri-2205 | [no description available] | medium | 1 | 0 | | |
mk 0752 | [no description available] | medium | 1 | 0 | | |
givinostat | [no description available] | medium | 1 | 0 | carbamate ester | |
pd 144418 | [no description available] | medium | 1 | 0 | | |
bicyclol | [no description available] | medium | 1 | 0 | | |
midostaurin | [no description available] | medium | 1 | 0 | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
ly 450139 | [no description available] | medium | 1 | 0 | peptide | |
mocetinostat | [no description available] | medium | 5 | 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 |
mocetinostat | [no description available] | medium | 5 | 1 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
rivaroxaban | [no description available] | medium | 1 | 0 | aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
sb 3ct compound | [no description available] | medium | 1 | 0 | aromatic ether | |
ginsenoside rb1 | [no description available] | medium | 1 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger |
rucaparib | [no description available] | medium | 1 | 0 | azepinoindole; caprolactams; organofluorine compound; secondary amino compound | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
cetilistat | [no description available] | medium | 1 | 0 | benzoxazine | |
ym 201636 | [no description available] | medium | 1 | 0 | aromatic amide | |
linagliptin | [no description available] | medium | 1 | 0 | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
odanacatib | [no description available] | medium | 1 | 0 | | |
apilimod | [no description available] | medium | 1 | 0 | | |
apixaban | [no description available] | medium | 1 | 0 | aromatic ether; lactam; piperidones; pyrazolopyridine | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
betrixaban | [no description available] | medium | 1 | 0 | benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
edoxaban | [no description available] | medium | 1 | 0 | chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor |
saracatinib | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent |
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide | [no description available] | medium | 1 | 0 | tripeptide; ureas | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
ly 411575 | [no description available] | medium | 1 | 0 | dibenzoazepine; difluorobenzene; lactam; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor |
galidesivir | [no description available] | medium | 1 | 0 | | |
PB28 | [no description available] | medium | 1 | 0 | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
degrasyn | [no description available] | medium | 1 | 0 | | |
epoxomicin | [no description available] | medium | 1 | 0 | morpholines; tripeptide | proteasome inhibitor |
bms 477118 | [no description available] | medium | 1 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
pha 680632 | [no description available] | medium | 1 | 0 | | |
tmc 353121 | [no description available] | medium | 1 | 0 | | |
amd 070 | [no description available] | medium | 1 | 0 | aminoquinoline | |
danoprevir | [no description available] | medium | 1 | 0 | | |
bms-626529 | [no description available] | medium | 1 | 0 | | |
bms-663068 | [no description available] | medium | 1 | 0 | | |
amenamevir | [no description available] | medium | 1 | 0 | | |
vx 765 | [no description available] | medium | 1 | 0 | dipeptide | |
Dihydrotanshinone I | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
alogliptin | [no description available] | medium | 1 | 0 | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
fr 180204 | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
quisinostat | [no description available] | medium | 1 | 0 | indoles | |
carfilzomib | [no description available] | medium | 2 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
hcv 796 | [no description available] | medium | 1 | 0 | | |
resminostat | [no description available] | medium | 1 | 0 | | |
zk 756326 | [no description available] | medium | 1 | 0 | aromatic ether | |
balapiravir | [no description available] | medium | 1 | 0 | | |
trametinib | [no description available] | medium | 1 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
deoxyarbutin | [no description available] | medium | 1 | 0 | | |
abexinostat | [no description available] | medium | 1 | 0 | benzofurans | |
silvestrol | [no description available] | medium | 1 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
narlaprevir | [no description available] | medium | 1 | 0 | azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas | anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor |
teneligliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
dextrothyroxine | [no description available] | medium | 1 | 0 | | |
veliparib | [no description available] | medium | 1 | 0 | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
pf 03491390 | [no description available] | medium | 1 | 0 | | |
alloin | [no description available] | medium | 1 | 0 | anthracenes; C-glycosyl compound; cyclic ketone; phenols | laxative; metabolite |
mdv 3100 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent |
bms-650032 | [no description available] | medium | 1 | 0 | oligopeptide | |
rg 7128 | [no description available] | medium | 1 | 0 | | |
oritavancin | [no description available] | medium | 1 | 0 | disaccharide derivative; glycopeptide; semisynthetic derivative | antibacterial drug; antimicrobial agent |
pevonedistat | [no description available] | medium | 1 | 0 | cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate | antineoplastic agent; apoptosis inducer |
uk 453,061 | [no description available] | medium | 1 | 0 | aromatic ether | |
N-(2-aminophenyl)-2-pyrazinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
tegobuvir | [no description available] | medium | 1 | 0 | | |
pf-429242 | [no description available] | medium | 1 | 0 | | |
olaparib | [no description available] | medium | 1 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
cx 4945 | [no description available] | medium | 1 | 0 | | |
pci 34051 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
lomibuvir | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
delanzomib | [no description available] | medium | 1 | 0 | C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative | antineoplastic agent; apoptosis inducer; proteasome inhibitor |
pitavastatin(1-) | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid anion | |
GRL-0617 | [no description available] | medium | 1 | 0 | benzamides; naphthalenes; secondary carboxamide; substituted aniline | anticoronaviral agent; protease inhibitor |
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | [no description available] | medium | 1 | 0 | carbamate ester | |
niraparib | [no description available] | medium | 1 | 0 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent |
jzl 184 | [no description available] | medium | 1 | 0 | benzodioxoles | |
gsk 650394 | [no description available] | medium | 1 | 0 | phenylpyridine | |
oprozomib | [no description available] | medium | 1 | 0 | | |
az 960 | [no description available] | medium | 1 | 0 | | |
golgicide a | [no description available] | medium | 1 | 0 | diastereoisomeric mixture | cis-Golgi ArfGEF GBF inhibitor |
cobicistat | [no description available] | medium | 1 | 0 | 1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas | P450 inhibitor |
bms-790052 | [no description available] | medium | 1 | 0 | biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative | antiviral drug; nonstructural protein 5A inhibitor |
ixazomib | [no description available] | medium | 1 | 0 | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor |
ucph 101 | [no description available] | medium | 1 | 0 | | |
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide; thienopyrimidine | |
baricitinib | [no description available] | medium | 1 | 0 | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent |
KOM70144 | [no description available] | medium | 1 | 0 | acetamides; benzamides; naphthalenes; secondary carboxamide | anticoronaviral agent; protease inhibitor |
e-52862 | [no description available] | medium | 1 | 0 | | |
ly2811376 | [no description available] | medium | 1 | 0 | | |
anagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
gardiquimod | [no description available] | medium | 1 | 0 | | |
grazoprevir | [no description available] | medium | 1 | 0 | aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative | antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent |
abt-450 | [no description available] | medium | 1 | 0 | | |
letermovir | [no description available] | medium | 1 | 0 | | |
sofosbuvir | [no description available] | medium | 1 | 0 | isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester | antiviral drug; hepatitis C protease inhibitor; prodrug |
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | [no description available] | medium | 1 | 0 | benzoxazole | |
blz 945 | [no description available] | medium | 1 | 0 | | |
azd3839 | [no description available] | medium | 1 | 0 | | |
pf 3084014 | [no description available] | medium | 1 | 0 | | |
unc 0638 | [no description available] | medium | 1 | 0 | quinazolines | |
gs-9620 | [no description available] | medium | 1 | 0 | | |
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide | [no description available] | medium | 1 | 0 | | |
bms 708163 | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
jq1 compound | [no description available] | medium | 1 | 0 | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer |
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone | [no description available] | medium | 1 | 0 | | |
gsk525762a | [no description available] | medium | 1 | 0 | benzodiazepine | |
ML240 | [no description available] | medium | 1 | 0 | aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound | antineoplastic agent |
birinapant | [no description available] | medium | 1 | 0 | dipeptide | |
ly2886721 | [no description available] | medium | 1 | 0 | | |
nms-p118 | [no description available] | medium | 1 | 0 | | |
tubastatin a | [no description available] | medium | 1 | 0 | hydroxamic acid; pyridoindole; tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor |
pracinostat | [no description available] | medium | 1 | 0 | benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound | antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
spautin-1 | [no description available] | medium | 1 | 0 | | |
ldn 57444 | [no description available] | medium | 1 | 0 | | |
gsk1210151a | [no description available] | medium | 1 | 0 | imidazoquinoline | |
i-bet726 | [no description available] | medium | 1 | 0 | | |
acy-1215 | [no description available] | medium | 1 | 0 | pyrimidinecarboxylic acid | |
cudc-907 | [no description available] | medium | 1 | 0 | | |
tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
tasquinimod | [no description available] | medium | 1 | 0 | | |
gsk1265744 | [no description available] | medium | 1 | 0 | difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide | HIV-1 integrase inhibitor |
abt-267 | [no description available] | medium | 1 | 0 | aromatic amide; carbamate ester; dipeptide; pyrrolidines | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
abt-333 | [no description available] | medium | 1 | 0 | aromatic ether; naphthalenes; pyrimidone; sulfonamide | antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor |
rgfp966 | [no description available] | medium | 1 | 0 | | |
rg2833 | [no description available] | medium | 1 | 0 | | |
pi-1840 | [no description available] | medium | 1 | 0 | | |
acy-738 | [no description available] | medium | 1 | 0 | | |
pelabresib | [no description available] | medium | 1 | 0 | monochlorobenzenes; organic heterotricyclic compound; primary carboxamide | antineoplastic agent; bromodomain-containing protein 4 inhibitor |
gs-5806 | [no description available] | medium | 1 | 0 | | |
doravirine | [no description available] | medium | 1 | 0 | | |
gn6958 | [no description available] | medium | 1 | 0 | | |
vx-787 | [no description available] | medium | 1 | 0 | | |
ledipasvir | [no description available] | medium | 1 | 0 | azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound | antiviral drug; hepatitis C protease inhibitor |
gs-5816 | [no description available] | medium | 1 | 0 | carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
g007-lk | [no description available] | medium | 1 | 0 | | |
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | [no description available] | medium | 1 | 0 | | |
selinexor | [no description available] | medium | 1 | 0 | | |
verdinexor | [no description available] | medium | 1 | 0 | | |
cb-839 | [no description available] | medium | 1 | 0 | | |
mk-8742 | [no description available] | medium | 1 | 0 | carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent |
atglistatin | [no description available] | medium | 1 | 0 | | |
xen445 | [no description available] | medium | 1 | 0 | | |
santacruzamate a | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
ldc4297 | [no description available] | medium | 1 | 0 | aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound | antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
enasidenib | [no description available] | medium | 1 | 0 | 1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
s 8932 | [no description available] | medium | 1 | 0 | aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine | anticoronaviral agent; antiviral drug; prodrug |
entecavir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; primary alcohol; secondary alcohol | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
nu 1025 | [no description available] | medium | 1 | 0 | phenols; quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
penciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
4-hydroxyquinazoline | [no description available] | medium | 1 | 0 | quinazolines | |
tegaserod | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
hesperadin | [no description available] | medium | 1 | 0 | | |
6-bromoindirubin-3'-acetoxime | [no description available] | medium | 1 | 0 | | |
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | [no description available] | medium | 1 | 0 | catechols; hydrazide; hydrazone; naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
XL413 | [no description available] | medium | 1 | 0 | benzofuropyrimidine; organochlorine compound; pyrrolidines | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
me0328 | [no description available] | medium | 1 | 0 | | |
nvp-tnks656 | [no description available] | medium | 1 | 0 | | |
aliskiren | [no description available] | medium | 11 | 0 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
aliskiren | [no description available] | medium | 11 | 2 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
fumarates | [no description available] | medium | 11 | 2 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
transforming growth factor beta | [no description available] | medium | 6 | 0 | | |
sacubitril | [no description available] | medium | 3 | 2 | biphenyls | |
D-fructopyranose | [no description available] | medium | 2 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
orabase | [no description available] | medium | 1 | 0 | | |
angiotensin ii | [no description available] | medium | 72 | 3 | amino acid zwitterion; angiotensin II | human metabolite |
nitrites | [no description available] | medium | 3 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
isoprene | [no description available] | medium | 1 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
carnitine | [no description available] | medium | 1 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
malondialdehyde | [no description available] | medium | 7 | 0 | dialdehyde | biomarker |
azelnidipine | [no description available] | medium | 44 | 16 | isopropyl ester | |
azetidyl-2-carboxylic acid | [no description available] | medium | 44 | 16 | azetidine-2-carboxylic acid | |
dihydropyridines | [no description available] | medium | 52 | 22 | | |
canrenone | [no description available] | medium | 1 | 0 | steroid lactone | |
aldosterone | [no description available] | medium | 17 | 5 | 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 |
isosorbide-5-mononitrate | [no description available] | medium | 1 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
fimasartan | [no description available] | medium | 1 | 1 | biphenyls | |
isoproterenol | [no description available] | medium | 2 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
uric acid | [no description available] | medium | 2 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
adenine | [no description available] | medium | 1 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
oxadiazoles | [no description available] | medium | 17 | 10 | | |
bay 11-7082 | [no description available] | medium | 3 | 0 | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
rutin | [no description available] | medium | 2 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
chlorthalidone | [no description available] | medium | 5 | 3 | isoindoles; monochlorobenzenes; sulfonamide | |
tak 491 | [no description available] | medium | 8 | 0 | 1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane | angiotensin receptor antagonist; antihypertensive agent; prodrug |
tak 491 | [no description available] | medium | 8 | 7 | 1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane | angiotensin receptor antagonist; antihypertensive agent; prodrug |
imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
linalyl acetate | [no description available] | medium | 1 | 0 | acetate ester; monoterpenoid | |
bisoprolol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
ramipril | [no description available] | medium | 8 | 2 | 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 |
piperidines | [no description available] | medium | 1 | 0 | | |
carbamates | [no description available] | medium | 1 | 0 | amino-acid anion | |
zd 7155 | [no description available] | medium | 1 | 0 | | |
angiotensin i | [no description available] | medium | 11 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
angiotensin ii, des-phe(8)- | [no description available] | medium | 8 | 0 | amino acid zwitterion; angiotensin | vasodilator agent |
kynurenic acid | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
pitavastatin | [no description available] | medium | 1 | 0 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
valine | [no description available] | medium | 42 | 12 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
fluorobenzenes | [no description available] | medium | 5 | 4 | monofluorobenzenes | NMR chemical shift reference compound |
nephrin | [no description available] | medium | 2 | 0 | | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 2 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
eplerenone | [no description available] | medium | 4 | 0 | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
perindopril | [no description available] | medium | 7 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
perindopril | [no description available] | medium | 7 | 4 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
temocapril hydrochloride | [no description available] | medium | 6 | 1 | dipeptide | |
3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
4-hydroxy-2-nonenal | [no description available] | medium | 4 | 0 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
tyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
osteoprotegerin | [no description available] | medium | 2 | 1 | long-chain fatty acid | |
interleukin-8 | [no description available] | medium | 1 | 1 | | |
alloxan | [no description available] | medium | 1 | 0 | pyrimidone | hyperglycemic agent; metabolite |
omega-n-methylarginine | [no description available] | medium | 1 | 0 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
deoxyguanosine | [no description available] | medium | 5 | 2 | 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 | 5 | 2 | guanosines | biomarker |
hydroxyproline | [no description available] | medium | 3 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
kn 93 | [no description available] | medium | 1 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
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 |
niacinamide | [no description available] | medium | 2 | 1 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
amyloid beta-peptides | [no description available] | medium | 2 | 0 | | |
pyrroles | [no description available] | medium | 3 | 0 | pyrrole; secondary amine | |
lercanidipine | [no description available] | medium | 2 | 0 | diarylmethane | |
ferrous sulfate | [no description available] | medium | 1 | 0 | iron molecular entity; metal sulfate | reducing agent |
alendronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
angiotensinogen | [no description available] | medium | 6 | 0 | | |
thiophenes | [no description available] | medium | 3 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
ng-nitroarginine methyl ester | [no description available] | medium | 6 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
atrial natriuretic factor | [no description available] | medium | 5 | 0 | polypeptide | |
calpain | [no description available] | medium | 1 | 0 | | |
trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
natriuretic peptide, c-type | [no description available] | medium | 1 | 0 | | |
pyrazolanthrone | [no description available] | medium | 1 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
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 |
chlorine | [no description available] | medium | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
everolimus | [no description available] | medium | 1 | 1 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
flavin mononucleotide | [no description available] | medium | 1 | 1 | | |
inosine diphosphate | [no description available] | medium | 1 | 1 | inosine phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite |
pd 123319 | [no description available] | medium | 10 | 0 | imidazopyridine | angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent |
bisindolylmaleimide i | [no description available] | medium | 2 | 0 | | |
1-oleoyl-2-acetylglycerol | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
urea | [no description available] | medium | 2 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
deuterium | [no description available] | medium | 1 | 0 | dihydrogen | |
trichlormethiazide | [no description available] | medium | 2 | 0 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
trichlormethiazide | [no description available] | medium | 2 | 1 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
oligonucleotides | [no description available] | medium | 1 | 0 | | |
muromonab-cd3 | [no description available] | medium | 1 | 0 | alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite |
u 73122 | [no description available] | medium | 1 | 0 | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
natriuretic peptide, brain | [no description available] | medium | 4 | 2 | polypeptide | |
oxalates | [no description available] | medium | 1 | 0 | | |
peroxyoxalate | [no description available] | medium | 1 | 0 | | |
c-peptide | [no description available] | medium | 1 | 0 | | |
fructosamine | [no description available] | medium | 1 | 0 | | |
cytochalasin d | [no description available] | medium | 1 | 0 | | |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 1 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
egtazic acid | [no description available] | medium | 1 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
1,4-dihydropyridine | [no description available] | medium | 1 | 1 | | |
deoxyglucose | [no description available] | medium | 3 | 0 | | |
verlukast | [no description available] | medium | 1 | 0 | | |
ochratoxin a | [no description available] | medium | 1 | 0 | isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative | Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent |
buthiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | |
capsazepine | [no description available] | medium | 1 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
elastin | [no description available] | medium | 1 | 0 | oligopeptide | |
benidipine | [no description available] | medium | 1 | 1 | | |
fluorexon | [no description available] | medium | 1 | 0 | xanthene dye | fluorochrome |
erythrosine | [no description available] | medium | 1 | 0 | | |
temocaprilat | [no description available] | medium | 3 | 0 | non-proteinogenic alpha-amino acid | |
cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
technetium tc 99m bicisate | [no description available] | medium | 1 | 0 | | |
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 |
adenosine diphosphate | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
8-(4-sulfophenyl)theophylline | [no description available] | medium | 1 | 0 | | |
imidapril | [no description available] | medium | 2 | 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 |
imidapril | [no description available] | medium | 2 | 1 | dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
imidazolidines | [no description available] | medium | 2 | 1 | azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent | |
desoxycorticosterone | [no description available] | medium | 2 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
thromboplastin | [no description available] | medium | 1 | 0 | | |
acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
8-epi-prostaglandin f2alpha | [no description available] | medium | 1 | 1 | F2-isoprostane | biomarker; bronchoconstrictor agent; vasoconstrictor agent |
dinoprost | [no description available] | medium | 1 | 1 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
calcium gluconate | [no description available] | medium | 1 | 0 | calcium salt | nutraceutical |
reserpine | [no description available] | medium | 1 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
prostaglandin f-main urinary metabolite | [no description available] | medium | 1 | 1 | | |
endothelin-1 | [no description available] | medium | 3 | 1 | | |
propane | [no description available] | medium | 1 | 1 | alkane; gas molecular entity | food propellant |
n,n-dimethylarginine | [no description available] | medium | 1 | 1 | dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
n(g),n(g')-dimethyl-l-arginine | [no description available] | medium | 1 | 1 | alpha-amino acid | |
manidipine | [no description available] | medium | 3 | 3 | diarylmethane | |
thapsigargin | [no description available] | medium | 1 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
boric acid | [no description available] | medium | 2 | 0 | boric acids | astringent |
edetic acid | [no description available] | medium | 2 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
1-octanol | [no description available] | medium | 1 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
nitroglycerin | [no description available] | medium | 1 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
ucn 1028 c | [no description available] | medium | 1 | 0 | | |
glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
leptin | [no description available] | medium | 1 | 0 | | |
cgp 42112a | [no description available] | medium | 1 | 0 | benzyl ester; oligopeptide; pyridinecarboxamide | angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent |
creatine | [no description available] | medium | 1 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
ag 1879 | [no description available] | medium | 1 | 0 | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent; drug metabolite |
losartan potassium | [no description available] | medium | 1 | 0 | | |
nitrates | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
wortmannin | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
methionine | [no description available] | medium | 2 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
choline | [no description available] | medium | 1 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
serine | [no description available] | medium | 1 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
acetovanillone | [no description available] | medium | 1 | 0 | acetophenones; aromatic ketone; methyl ketone | antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
delapril | [no description available] | medium | 2 | 2 | peptide | |
fibrinogen | [no description available] | medium | 1 | 1 | iditol | fungal metabolite |
n-acetylglucopyranosylamine | [no description available] | medium | 1 | 0 | | |
quinacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
aluminum hydroxide, magnesium hydroxide, drug combination | [no description available] | medium | 1 | 0 | | |
alpha-chymotrypsin | [no description available] | medium | 1 | 0 | | |
timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
pd 123177 | [no description available] | medium | 1 | 0 | diarylmethane | |
fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
bradykinin | [no description available] | medium | 1 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
icatibant | [no description available] | medium | 1 | 0 | | |
acebutolol | [no description available] | low | 0 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
alfuzosin | [no description available] | low | 0 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
bendroflumethiazide | [no description available] | low | 0 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benzothiazide | [no description available] | low | 0 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
bethanidine | [no description available] | low | 0 | 0 | guanidines | adrenergic antagonist; antihypertensive agent |
betaxolol | [no description available] | low | 0 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bevantolol | [no description available] | low | 0 | 0 | propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker |
bretylium | [no description available] | low | 0 | 0 | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
brimonidine | [no description available] | low | 0 | 0 | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent |
carteolol | [no description available] | low | 0 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
carvedilol | [no description available] | low | 0 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
chlorothiazide | [no description available] | low | 0 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
cyclothiazide | [no description available] | low | 0 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
debrisoquin | [no description available] | low | 0 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
diazoxide | [no description available] | low | 0 | 0 | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent |
felodipine | [no description available] | low | 0 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
fenoldopam | [no description available] | low | 0 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
guanethidine | [no description available] | low | 0 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
hydroflumethiazide | [no description available] | low | 0 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
indapamide | [no description available] | low | 0 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
ketanserin | [no description available] | low | 0 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
nitrendipine | [no description available] | low | 0 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
tolazoline | [no description available] | low | 0 | 0 | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
pentolinium tartrate | [no description available] | low | 0 | 0 | tartrate salt | antihypertensive agent |
bretylium tosylate | [no description available] | low | 0 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
quinethazone | [no description available] | low | 0 | 0 | quinazolines | antihypertensive agent; diuretic |
visnagin | [no description available] | low | 0 | 0 | aromatic ether; furanochromone; polyketide | anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent |
isoamyl nitrite | [no description available] | low | 0 | 0 | nitrite esters | antihypertensive agent; vasodilator agent |
scoparone | [no description available] | low | 0 | 0 | aromatic ether; coumarins | anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite |
hydralazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antihypertensive agent; vasodilator agent |
pentamethonium | [no description available] | low | 0 | 0 | quaternary ammonium ion | antihypertensive agent; vasodilator agent |
vincamine | [no description available] | low | 0 | 0 | alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid | antihypertensive agent; metabolite; vasodilator agent |
trimethaphan | [no description available] | low | 0 | 0 | sulfonium compound | anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent |
lofexidine | [no description available] | low | 0 | 0 | aromatic ether; carboxamidine; dichlorobenzene; imidazoles | alpha-adrenergic agonist; antihypertensive agent |
metipranolol | [no description available] | low | 0 | 0 | acetate ester; aromatic ether; propanolamine; secondary amino compound | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
guanadrel | [no description available] | low | 0 | 0 | guanidines; spiroketal | adrenergic antagonist; antihypertensive agent |
carteolol hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
colforsin | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
ci 906 | [no description available] | low | 0 | 0 | hydrochloride | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
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 |
carmoxirole | [no description available] | low | 0 | 0 | indolecarboxylic acid; tertiary amino compound; tetrahydropyridine | antihypertensive agent; dopamine agonist; platelet aggregation inhibitor |
amlodipine besylate | [no description available] | low | 0 | 0 | organosulfonate salt | antihypertensive agent; calcium channel blocker; vasodilator agent |
fosinoprilat | [no description available] | low | 0 | 0 | L-proline derivative; phosphinic acids | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
guanadrel sulfate | [no description available] | low | 0 | 0 | organic sulfate salt | adrenergic antagonist; antihypertensive agent |
perindoprilat | [no description available] | low | 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 |
droxidopa | [no description available] | low | 0 | 0 | catechols; L-tyrosine derivative | antihypertensive agent; prodrug; vasoconstrictor agent |
betaxolol hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antihypertensive agent; beta-adrenergic antagonist |
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 |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | low | 0 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
cleistanthin b | [no description available] | low | 0 | 0 | beta-D-glucoside; cleistanthins; monosaccharide derivative | alpha-adrenergic antagonist; antihypertensive agent; diuretic |
fasudil hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; neuroprotective agent; nootropic agent; vasodilator agent |
enrasentan | [no description available] | low | 0 | 0 | aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol | antihypertensive agent; endothelin receptor antagonist |
acebutolol hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
perindopril erbumine | [no description available] | low | 0 | 0 | addition compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
raubasine | [no description available] | low | 0 | 0 | methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
colforsin daropate | [no description available] | low | 0 | 0 | acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound | adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent |
aurapten | [no description available] | low | 0 | 0 | coumarins; monoterpenoid | antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary |
1-0-octadecyl 2-0-acetyl sn-glycero-3-phosphorylcholine | [no description available] | low | 0 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
spiraprilat | [no description available] | low | 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 |
rescinnamine | [no description available] | low | 0 | 0 | indole alkaloid; methyl ester; organic heteropentacyclic compound | antihypertensive agent |
cassaine | [no description available] | low | 0 | 0 | enoate ester; organic hydroxy compound; tertiary amino compound; tricyclic diterpenoid | antihypertensive agent; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; local anaesthetic; plant metabolite; poison |
oleuropein | [no description available] | low | 0 | 0 | beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside | anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger |
morin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
rottlerin | [no description available] | low | 0 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
cilnidipine | [no description available] | low | 0 | 0 | 2-methoxyethyl ester; C-nitro compound; dihydropyridine | antihypertensive agent; calcium channel blocker; cardiovascular drug |
uf 021 | [no description available] | low | 0 | 0 | isopropyl ester; ketone; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; prodrug |
travoprost | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist |
4-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones; phenols | antihypertensive agent; plant metabolite |
eprosartan mesylate dihydrate | [no description available] | low | 0 | 0 | methanesulfonate salt | antihypertensive agent |
camostat mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
bimatoprost | [no description available] | low | 0 | 0 | monocarboxylic acid amide | antiglaucoma drug; antihypertensive agent |
fluprostenol | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; hydroxy monocarboxylic acid; prostaglandins Falpha | abortifacient; antiglaucoma drug; antihypertensive agent; female contraceptive drug; prostaglandin receptor agonist |
latanoprost | [no description available] | low | 0 | 0 | isopropyl ester; prostaglandins Falpha; triol | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug |
spirapril | [no description available] | low | 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 |
lisinopril | [no description available] | low | 0 | 0 | hydrate | antihypertensive agent |
enalapril maleate | [no description available] | low | 0 | 0 | maleate salt | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
enalaprilat anhydrous | [no description available] | low | 0 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
trandolaprilat | [no description available] | low | 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 |
imidaprilat | [no description available] | low | 0 | 0 | dicarboxylic acid; dipeptide; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
ro 42-5892 | [no description available] | low | 0 | 0 | cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone | antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent |
phxa 85 | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
beraprost | [no description available] | low | 0 | 0 | enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
l 671152 | [no description available] | low | 0 | 0 | hydrochloride; organoammonium salt | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
u 62840 | [no description available] | low | 0 | 0 | carbotricyclic compound; carboxylic acid | antihypertensive agent; cardiovascular drug; human blood serum metabolite; platelet aggregation inhibitor; vasodilator agent; vitamin K antagonist |
tekturna | [no description available] | low | 0 | 0 | fumarate salt | antihypertensive agent |
grayanotoxin i | [no description available] | low | 0 | 0 | acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid | antihypertensive agent; metabolite; neuromuscular agent; phytotoxin |
2-hydroxy-9-cis-octadecenoic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid; hydroxy monounsaturated fatty acid; long-chain fatty acid | antihypertensive agent; antineoplastic agent; apoptosis inducer |
bay 58-2667 | [no description available] | low | 0 | 0 | aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound | antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
bay 63-2521 | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine | antihypertensive agent; soluble guanylate cyclase activator |
hu 308 | [no description available] | low | 0 | 0 | aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid | anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist |
bay 60-4552 | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine | antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent |
macitentan | [no description available] | low | 0 | 0 | aromatic ether; organobromine compound; pyrimidines; ring assembly; sulfamides | antihypertensive agent; endothelin receptor antagonist; orphan drug |
beraprost sodium | [no description available] | low | 0 | 0 | organic sodium salt | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
sodium nitrite | [no description available] | low | 0 | 0 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
apelin-13 peptide | [no description available] | low | 0 | 0 | oligopeptide | antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent |
act-132577 | [no description available] | low | 0 | 0 | aromatic ether; organobromine compound; pyrimidines; sulfamides | antihypertensive agent; drug metabolite; endothelin receptor antagonist; xenobiotic metabolite |
cleistanthin | [no description available] | low | 0 | 0 | cleistanthins; xylose derivative | alpha-adrenergic antagonist; antihypertensive agent; diuretic |
vericiguat | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine | antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
angiotensin i | [no description available] | low | 0 | 0 | angiotensin; peptide zwitterion | antihypertensive agent; cardioprotective agent; human metabolite; rat metabolite |
praliciguat | [no description available] | low | 0 | 0 | aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol | anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |