| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| 2-chloroadenosine | [no description available] | medium | 44 | 0 | purine nucleoside | |
| adenosine | [no description available] | medium | 532 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| n(6)-phenyladenosine | [no description available] | medium | 9 | 0 | purine nucleoside | |
| adenosine amine congener | [no description available] | medium | 4 | 0 | | |
| adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 110 | 0 | adenosines;
monocarboxylic acid amide | adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| 2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | [no description available] | medium | 111 | 0 | adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid | adenosine A2A receptor agonist;
anti-inflammatory agent |
| n(6)-cyclohexyladenosine | [no description available] | medium | 30 | 0 | | |
| 1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 155 | 0 | oxopurine | adenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| n(6)-benzyladenosine | [no description available] | medium | 9 | 0 | | |
| 1,3-dipropyl-8-phenylxanthine | [no description available] | medium | 3 | 0 | oxopurine | |
| theophylline | [no description available] | medium | 85 | 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 |
| caffeine | [no description available] | medium | 34 | 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 |
| rolofylline | [no description available] | medium | 5 | 0 | oxopurine | |
| 8-(dicyclopropylmethyl)-1,3-dipropylxanthine | [no description available] | medium | 2 | 0 | | |
| 1,3-dipropylxanthine | [no description available] | medium | 2 | 0 | | |
| phenylisopropyladenosine | [no description available] | medium | 25 | 0 | aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound | adenosine A1 receptor agonist;
neuroprotective agent |
| 2-(1-octynyl)adenosine | [no description available] | medium | 4 | 0 | | |
| 2-hexynyladenosine-5'-n-ethylcarboxamide | [no description available] | medium | 1 | 0 | | |
| cv 1808 | [no description available] | medium | 13 | 0 | purine nucleoside | |
| cgs 24012 | [no description available] | medium | 13 | 0 | | |
| 8-(4-sulfophenyl)theophylline | [no description available] | medium | 21 | 0 | | |
| 8-cyclopentyl-1,3-dimethylxanthine | [no description available] | medium | 32 | 0 | oxopurine | |
| 8-phenyltheophylline | [no description available] | medium | 18 | 0 | | |
| cgs 15943 | [no description available] | medium | 13 | 0 | aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline | adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant |
| 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine | [no description available] | medium | 11 | 0 | | |
| 1,3-dipropyl-8-(2-amino-4-chlorophenyl)xanthine | [no description available] | medium | 5 | 0 | | |
| 3,7-dimethyl-1-propargylxanthine | [no description available] | medium | 24 | 0 | | |
| 2-chloro-n(6)cyclopentyladenosine | [no description available] | medium | 25 | 0 | | |
| cp 66713 | [no description available] | medium | 4 | 0 | | |
| 8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine | [no description available] | medium | 2 | 0 | | |
| kfm 19 | [no description available] | medium | 1 | 0 | | |
| 8-cyclohexylcaffeine | [no description available] | medium | 1 | 0 | | |
| 2-((2-aminoethylamino)carbonylethylphenylethylamino)-5'-n-ethylcarboxamidoadenosine | [no description available] | medium | 2 | 0 | | |
| n(6)-(2,2-diphenylethyl)adenosine | [no description available] | medium | 5 | 0 | | |
| n-(1-methyl-2-phenylethyl)adenosine, (s)-isomer | [no description available] | medium | 12 | 0 | | |
| isoguanosine | [no description available] | medium | 2 | 0 | purine nucleoside | |
| 8-cyclopropyltheophylline | [no description available] | medium | 2 | 0 | | |
| imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| 1-methyl-3-isobutylxanthine | [no description available] | medium | 5 | 0 | 3-isobutyl-1-methylxanthine | |
| rolipram | [no description available] | medium | 5 | 0 | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| heart | [no description available] | medium | 1 | 0 | | |
| 6-hydroxyadenosine | [no description available] | medium | 1 | 0 | | |
| nebularine | [no description available] | medium | 1 | 0 | purine ribonucleoside;
purines D-ribonucleoside | fungal metabolite |
| 6-chloropurine riboside | [no description available] | medium | 1 | 0 | | |
| n-allyladenosine | [no description available] | medium | 2 | 0 | purine nucleoside | |
| 6-methylpurine riboside | [no description available] | medium | 1 | 0 | | |
| n-methyladenosine | [no description available] | medium | 3 | 0 | methyladenosine | |
| 6-methoxypurine arabinoside | [no description available] | medium | 1 | 0 | | |
| n(6),n(6)-dimethyladenosine | [no description available] | medium | 1 | 0 | hydrocarbyladenosine | |
| 1-aminoadenosine | [no description available] | medium | 1 | 0 | | |
| 1,3-diethyl-8-phenylxanthine | [no description available] | medium | 3 | 0 | | |
| bw a522 | [no description available] | medium | 4 | 0 | | |
| 1-deazaadenosine | [no description available] | medium | 1 | 0 | | |
| 1-deaza-2-chloro-n(6)-cyclopentyladenosine | [no description available] | medium | 5 | 0 | | |
| cordycepin | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside;
adenosines | antimetabolite;
nucleoside antibiotic |
| 2'-deoxyadenosine | [no description available] | medium | 1 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 9-methyladenine | [no description available] | medium | 1 | 0 | methyladenine | metabolite |
| 5'-deoxyadenosine | [no description available] | medium | 1 | 0 | 5'-deoxyribonucleoside;
adenosines | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 20 | 0 | adenosines;
monocarboxylic acid amide;
organoiodine compound | adenosine A3 receptor agonist |
| 2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | [no description available] | medium | 8 | 0 | | |
| 3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines;
monocarboxylic acid amide;
organoiodine compound | |
| 3-iodo-n(6)-4-aminobenzyladenosine | [no description available] | medium | 2 | 0 | | |
| bw a1433 | [no description available] | medium | 3 | 0 | | |
| 3'-c-methyladenosine | [no description available] | medium | 3 | 0 | | |
| 2'-c-methyladenosine | [no description available] | medium | 3 | 0 | | |
| isopentenyladenosine | [no description available] | medium | 1 | 0 | N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue | antineoplastic agent;
plant growth regulator;
plant metabolite |
| metrifudil | [no description available] | medium | 4 | 0 | | |
| sdz wag-994 | [no description available] | medium | 1 | 0 | | |
| zm 241385 | [no description available] | medium | 29 | 0 | diamino-1,3,5-triazine | |
| aristeromycin | [no description available] | medium | 1 | 0 | | |
| 7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine | [no description available] | medium | 3 | 0 | | |
| hyaluronoglucosaminidase | [no description available] | medium | 2 | 0 | purine nucleoside | |
| 2-aminoadenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| 8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine | [no description available] | medium | 5 | 0 | | |
| 2-fluoroadenosine | [no description available] | medium | 1 | 0 | adenosines;
organofluorine compound | |
| mrs 1220 | [no description available] | medium | 4 | 0 | quinazolines | |
| mrs 1523 | [no description available] | medium | 5 | 0 | | |
| pinoresinol diglucoside | [no description available] | medium | 1 | 0 | | |
| tecadenoson | [no description available] | medium | 3 | 0 | | |
| 6-benzylthioinosine | [no description available] | medium | 1 | 0 | | |
| n 0840 | [no description available] | medium | 5 | 0 | | |
| sch 58261 | [no description available] | medium | 3 | 0 | triazolopyrimidines | |
| regadenoson | [no description available] | medium | 1 | 0 | purine nucleoside | |
| mre 3008-f20 | [no description available] | medium | 1 | 0 | | |
| fk 453 | [no description available] | medium | 4 | 0 | | |
| atl 146e | [no description available] | medium | 1 | 0 | | |
| n-((1s,trans)-2-hydroxycyclopentyl)adenosine | [no description available] | medium | 5 | 0 | purine nucleoside | |
| sch 442416 | [no description available] | medium | 4 | 0 | triazolopyrimidines | |
| mrs 3558 | [no description available] | medium | 1 | 0 | | |
| istradefylline | [no description available] | medium | 2 | 0 | oxopurine | |
| gamma-aminobutyric acid | [no description available] | medium | 9 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| acetamide | [no description available] | medium | 1 | 0 | acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia | |
| 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 |
| catechol | [no description available] | medium | 2 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| taxifolin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone | |
| phosphonoacetic acid | [no description available] | medium | 3 | 0 | monocarboxylic acid;
phosphonic acids | antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
| 3,4-dihydroxyphenylacetic acid | [no description available] | medium | 4 | 0 | catechols;
dihydroxyphenylacetic acid | human metabolite |
| aminocaproic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid | antifibrinolytic drug;
hematologic agent;
metabolite |
| diacetyl | [no description available] | medium | 1 | 0 | alpha-diketone | Escherichia coli metabolite;
Saccharomyces cerevisiae metabolite |
| hydroquinone | [no description available] | medium | 2 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
| melatonin | [no description available] | medium | 1 | 0 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
| n-acetylserotonin | [no description available] | medium | 1 | 0 | acetamides;
N-acylserotonin;
phenols | antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist |
| pyrazinamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| quinolinic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist |
| taurine | [no description available] | medium | 2 | 0 | amino sulfonic acid;
zwitterion | antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite |
| 2-amino-5-phosphonovalerate | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
| alpha-methyl-4-carboxyphenylglycine | [no description available] | medium | 1 | 0 | | |
| 3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 1 | 0 | | |
| 1-hydroxy-3-amino-2-pyrrolidone | [no description available] | medium | 1 | 0 | | |
| ibotenic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | neurotoxin |
| n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane | [no description available] | medium | 1 | 0 | | |
| sk&f-38393 | [no description available] | medium | 8 | 0 | benzazepine;
catechols;
secondary amino compound | |
| vanilmandelic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid;
aromatic ether;
phenols | human metabolite |
| 1,10-diaminodecane | [no description available] | medium | 2 | 0 | | |
| 1,3-dipropyl-8-(4-sulfophenyl)xanthine | [no description available] | medium | 4 | 0 | | |
| 1,5-dihydroxyisoquinoline | [no description available] | medium | 1 | 0 | isoquinolinol | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| pk 11195 | [no description available] | medium | 2 | 0 | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent |
| 1-(2-trifluoromethylphenyl)imidazole | [no description available] | medium | 1 | 0 | imidazoles | |
| 1-aminobenzotriazole | [no description available] | medium | 2 | 0 | | |
| 1-methylimidazole | [no description available] | medium | 1 | 0 | imidazoles | |
| edelfosine | [no description available] | medium | 1 | 0 | glycerophosphocholine | |
| 1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one | [no description available] | medium | 4 | 0 | oxadiazoloquinoxaline | EC 4.6.1.2 (guanylate cyclase) inhibitor |
| 2,2'-dipyridyl | [no description available] | medium | 3 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
| 2-hydroxysaclofen | [no description available] | medium | 1 | 0 | organochlorine compound | |
| 3,4-dichloroisocoumarin | [no description available] | medium | 2 | 0 | isocoumarins;
organochlorine compound | geroprotector;
serine protease inhibitor |
| phaclofen | [no description available] | medium | 1 | 0 | organophosphate oxoanion;
zwitterion | |
| 3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides;
substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| 3-bromo-7-nitroindazole | [no description available] | medium | 1 | 0 | | |
| enprofylline | [no description available] | medium | 1 | 0 | oxopurine | anti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug |
| 3-nitropropionic acid | [no description available] | medium | 1 | 0 | C-nitro compound | antimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin |
| 4-amino-1,8-naphthalimide | [no description available] | medium | 2 | 0 | benzoisoquinoline;
dicarboximide | |
| 4-aminopyridine | [no description available] | medium | 5 | 0 | aminopyridine;
aromatic amine | avicide;
orphan drug;
potassium channel blocker |
| homovanillic acid | [no description available] | medium | 4 | 0 | guaiacols;
monocarboxylic acid | human metabolite;
mouse metabolite |
| 4-hydroxybenzoic acid hydrazide | [no description available] | medium | 1 | 0 | carbohydrazide;
phenols | |
| 4-phenyl-3-furoxancarbonitrile | [no description available] | medium | 2 | 0 | 1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile | geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
| 5,5-dimethyl-1-pyrroline-1-oxide | [no description available] | medium | 1 | 0 | 1-pyrroline nitrones | neuroprotective agent;
spin trapping reagent |
| phenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| 5,7-dichlorokynurenic acid | [no description available] | medium | 1 | 0 | quinolines | |
| 5-(n,n-hexamethylene)amiloride | [no description available] | medium | 2 | 0 | aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines | antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker |
| ethylisopropylamiloride | [no description available] | medium | 2 | 0 | aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound | anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker |
| 5-fluoroindole-2-carboxylic acid | [no description available] | medium | 3 | 0 | indolyl carboxylic acid | |
| hydroxyindoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids | drug metabolite;
human metabolite;
mouse metabolite |
| phenanthridone | [no description available] | medium | 2 | 0 | lactam;
phenanthridines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen |
| 6-chloromelatonin | [no description available] | medium | 1 | 0 | acetamides | |
| 6-hydroxymelatonin | [no description available] | medium | 1 | 0 | acetamides;
tryptamines | metabolite;
mouse metabolite |
| 6-methoxytryptoline | [no description available] | medium | 1 | 0 | | |
| 6-nitroso-1,2-benzopyrone | [no description available] | medium | 2 | 0 | | |
| 7-chlorokynurenic acid | [no description available] | medium | 2 | 0 | organochlorine compound;
quinolinemonocarboxylic acid | neuroprotective agent;
NMDA receptor antagonist |
| 7-nitroindazole | [no description available] | medium | 2 | 0 | | |
| acetazolamide | [no description available] | medium | 2 | 0 | 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 |
| ag 127 | [no description available] | medium | 2 | 0 | nitrophenol | |
| rtki cpd | [no description available] | medium | 2 | 0 | aromatic ether;
monochlorobenzenes;
quinazolines | antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector |
| tyrphostin a23 | [no description available] | medium | 2 | 0 | catechols | |
| tyrphostin 25 | [no description available] | medium | 2 | 0 | benzenetriol | |
| tyrphostin a1 | [no description available] | medium | 1 | 0 | methoxybenzenes | geroprotector |
| 1-aminoindan-1,5-dicarboxylic acid | [no description available] | medium | 1 | 0 | | |
| albuterol | [no description available] | medium | 1 | 0 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| alpha-methyltyrosine methyl ester | [no description available] | medium | 1 | 0 | | |
| altretamine | [no description available] | medium | 2 | 0 | triamino-1,3,5-triazine | |
| amfonelic acid | [no description available] | medium | 1 | 0 | | |
| amifostine anhydrous | [no description available] | medium | 1 | 0 | diamine;
organic thiophosphate | antioxidant;
prodrug;
radiation protective agent |
| amoxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | adrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor |
| aniracetam | [no description available] | medium | 2 | 0 | N-acylpyrrolidine;
pyrrolidin-2-ones | |
| 2-amino-4-phosphonobutyric acid | [no description available] | medium | 1 | 0 | | |
| aspirin | [no description available] | medium | 1 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
| atenolol | [no description available] | medium | 2 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate | [no description available] | medium | 1 | 0 | alpha-amino acid | |
| aurintricarboxylic acid | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid | fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist |
| 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 |
| azelaic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite |
| baclofen | [no description available] | medium | 5 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| bay-k-8644 | [no description available] | medium | 4 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester | |
| benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| bepridil | [no description available] | medium | 1 | 0 | pyrrolidines;
tertiary amine | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| bml 190 | [no description available] | medium | 2 | 0 | N-acylindole | |
| brimonidine | [no description available] | medium | 3 | 0 | imidazoles;
quinoxaline derivative;
secondary amine | adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent |
| bumetanide | [no description available] | medium | 2 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| carbamazepine | [no description available] | medium | 3 | 0 | dibenzoazepine;
ureas | analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic |
| carbetapentane | [no description available] | medium | 1 | 0 | benzenes | |
| carisoprodol | [no description available] | medium | 2 | 0 | carbamate ester | muscle relaxant |
| carmustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| cgs 12066 | [no description available] | medium | 1 | 0 | N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline | serotonergic agonist |
| chlorambucil | [no description available] | medium | 3 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| chlormezanone | [no description available] | medium | 1 | 0 | 1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone | antipsychotic agent;
anxiolytic drug;
muscle relaxant |
| chlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent;
diuretic |
| 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 |
| cilostamide | [no description available] | medium | 2 | 0 | quinolines | |
| cilostazol | [no description available] | medium | 3 | 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 |
| cimetidine | [no description available] | medium | 3 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| cinoxacin | [no description available] | medium | 3 | 0 | cinnolines;
oxacycle;
oxo carboxylic acid | antibacterial drug;
antiinfective agent |
| ciprofibrate | [no description available] | medium | 1 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| clofibrate | [no description available] | medium | 1 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| clotrimazole | [no description available] | medium | 2 | 0 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
| cx546 | [no description available] | medium | 1 | 0 | | |
| cyclothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent;
diuretic |
| dephostatin | [no description available] | medium | 1 | 0 | | |
| nonivamide | [no description available] | medium | 1 | 0 | capsaicinoid;
phenols | lachrymator |
| r 59022 | [no description available] | medium | 1 | 0 | diarylmethane | |
| diazoxide | [no description available] | medium | 3 | 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 |
| pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
| diphenyleneiodonium | [no description available] | medium | 1 | 0 | organic cation | |
| dipyridamole | [no description available] | medium | 18 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| disopyramide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
pyridines;
tertiary amino compound | anti-arrhythmia drug |
| 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 |
| 2-amino-7-phosphonoheptanoic acid | [no description available] | medium | 1 | 0 | | |
| thiorphan | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| 2,3-dimethoxy-1,4-naphthoquinone | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones | |
| domperidone | [no description available] | medium | 3 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| droperidol | [no description available] | medium | 3 | 0 | aromatic ketone;
benzimidazoles;
organofluorine compound | anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| ebselen | [no description available] | medium | 3 | 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 |
| ellipticine | [no description available] | medium | 3 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite |
| emodin | [no description available] | medium | 2 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
| ethosuximide | [no description available] | medium | 1 | 0 | dicarboximide;
pyrrolidinone | anticonvulsant;
geroprotector;
T-type calcium channel blocker |
| etodolac | [no description available] | medium | 2 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| felbamate | [no description available] | medium | 2 | 0 | carbamate ester | anticonvulsant;
neuroprotective agent |
| felodipine | [no description available] | medium | 3 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| fenofibrate | [no description available] | medium | 3 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| flumazenil | [no description available] | medium | 3 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| fluorouracil | [no description available] | medium | 4 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| fluspirilene | [no description available] | medium | 3 | 0 | diarylmethane | |
| flutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
| formoterol fumarate | [no description available] | medium | 2 | 0 | formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound | |
| fpl 64176 | [no description available] | medium | 2 | 0 | carboxylic ester;
pyrroles | calcium channel agonist |
| furafylline | [no description available] | medium | 1 | 0 | oxopurine | |
| furosemide | [no description available] | medium | 2 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
| fusaric acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid;
pyridines | |
| gabapentin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic |
| 4-amino-5-hexynoic acid | [no description available] | medium | 1 | 0 | | |
| glipizide | [no description available] | medium | 2 | 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 | 14 | 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 |
| 1-(5-isoquinolinesulfonyl)piperazine | [no description available] | medium | 1 | 0 | isoquinolines | |
| haloperidol | [no description available] | medium | 4 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| hemicholinium 3 | [no description available] | medium | 1 | 0 | morpholines | |
| 4-fluorohexahydrosiladifenidol | [no description available] | medium | 1 | 0 | | |
| hydrochlorothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroxyurea | [no description available] | medium | 1 | 0 | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent |
| ibudilast | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
| ibuprofen | [no description available] | medium | 2 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| ic 261 | [no description available] | medium | 2 | 0 | indoles | |
| ifenprodil | [no description available] | medium | 1 | 0 | piperidines | |
| indirubin-3'-monoxime | [no description available] | medium | 2 | 0 | | |
| indomethacin | [no description available] | medium | 9 | 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 |
| iodoacetamide | [no description available] | medium | 1 | 0 | | |
| 4-piperidinecarboxylic acid | [no description available] | medium | 2 | 0 | | |
| 4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | [no description available] | medium | 1 | 0 | | |
| jl 18 | [no description available] | medium | 2 | 0 | | |
| nsc 664704 | [no description available] | medium | 2 | 0 | indolobenzazepine;
lactam;
organobromine compound | cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector |
| ketoconazole | [no description available] | medium | 2 | 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 |
| kynurenic acid | [no description available] | medium | 3 | 0 | monohydroxyquinoline;
quinolinemonocarboxylic acid | G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite |
| 2-amino-3-phosphonopropionic acid | [no description available] | medium | 1 | 0 | alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids | human metabolite;
metabotropic glutamate receptor antagonist |
| lamotrigine | [no description available] | medium | 2 | 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 |
| lansoprazole | [no description available] | medium | 3 | 0 | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| beta-lapachone | [no description available] | medium | 2 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| leflunomide | [no description available] | medium | 2 | 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 |
| linopirdine | [no description available] | medium | 2 | 0 | indoles | |
| loratadine | [no description available] | medium | 3 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
| loxoprofen | [no description available] | medium | 1 | 0 | cyclopentanones;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| 2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 4 | 0 | chromones;
morpholines;
organochlorine compound | autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector |
| meclofenamate sodium anhydrous | [no description available] | medium | 2 | 0 | organic sodium salt | |
| methiothepin | [no description available] | medium | 2 | 0 | aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound | antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist |
| methoctramine | [no description available] | medium | 1 | 0 | aromatic ether;
tetramine | muscarinic antagonist |
| nocodazole | [no description available] | medium | 2 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes | antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator |
| 3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid | |
| metolazone | [no description available] | medium | 2 | 0 | organochlorine compound;
quinazolines;
sulfonamide | antihypertensive agent;
diuretic;
ion transport inhibitor |
| 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 |
| minoxidil | [no description available] | medium | 2 | 0 | dialkylarylamine;
tertiary amino compound | |
| mitotane | [no description available] | medium | 1 | 0 | diarylmethane | |
| mitoxantrone | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| ml 7 | [no description available] | medium | 2 | 0 | N-sulfonyldiazepane;
organoiodine compound | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
| n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide | [no description available] | medium | 1 | 0 | naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide | |
| n-bromoacetamide | [no description available] | medium | 1 | 0 | | |
| ethylmaleimide | [no description available] | medium | 4 | 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 |
| fg 7142 | [no description available] | medium | 2 | 0 | beta-carbolines | |
| fenamic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid;
secondary amino compound | membrane transport modulator |
| nialamide | [no description available] | medium | 3 | 0 | organonitrogen compound;
organooxygen compound | |
| niclosamide | [no description available] | medium | 2 | 0 | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor |
| nifedipine | [no description available] | medium | 3 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| niflumic acid | [no description available] | medium | 2 | 0 | aromatic carboxylic acid;
pyridines | |
| nilutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone | androgen antagonist;
antineoplastic agent |
| nimesulide | [no description available] | medium | 2 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| 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 |
| nipecotic acid | [no description available] | medium | 1 | 0 | beta-amino acid;
piperidinemonocarboxylic acid | |
| nitrendipine | [no description available] | medium | 3 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent |
| masoprocol | [no description available] | medium | 2 | 0 | catechols;
lignan;
tetrol | antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite |
| 5-nitro-2-(3-phenylpropylamino)benzoic acid | [no description available] | medium | 2 | 0 | nitrobenzoic acid | |
| ns 2028 | [no description available] | medium | 1 | 0 | | |
| ns 1619 | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes;
benzimidazoles;
phenols | potassium channel opener |
| o(6)-benzylguanine | [no description available] | medium | 1 | 0 | | |
| ofloxacin | [no description available] | medium | 3 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| olomoucine | [no description available] | medium | 2 | 0 | 2,6-diaminopurines;
ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| oxaprozin | [no description available] | medium | 2 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
| oxatomide | [no description available] | medium | 2 | 0 | benzimidazoles;
diarylmethane;
N-alkylpiperazine | anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist |
| oxiracetam | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| oxolinic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor |
| quinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor;
human xenobiotic metabolite;
mouse metabolite |
| fenclonine | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
| palmidrol | [no description available] | medium | 2 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent |
| 1,7-dimethylxanthine | [no description available] | medium | 1 | 0 | dimethylxanthine | central nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite |
| pd 98059 | [no description available] | medium | 3 | 0 | aromatic amine;
monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector |
| pentamidine | [no description available] | medium | 1 | 0 | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic |
| pentoxifylline | [no description available] | medium | 2 | 0 | oxopurine | |
| perphenazine | [no description available] | medium | 3 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| phenyl biguanide | [no description available] | medium | 3 | 0 | guanidines | central nervous system drug |
| phenylbutazone | [no description available] | medium | 3 | 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 |
| phloretin | [no description available] | medium | 2 | 0 | dihydrochalcones | antineoplastic agent;
plant metabolite |
| picotamide | [no description available] | medium | 2 | 0 | benzamides | |
| pinacidil | [no description available] | medium | 4 | 0 | pyridines | |
| pindolol | [no description available] | medium | 1 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| piperidine-4-sulfonic acid | [no description available] | medium | 1 | 0 | | |
| piracetam | [no description available] | medium | 2 | 0 | organonitrogen compound;
organooxygen compound | |
| pirenperone | [no description available] | medium | 3 | 0 | aromatic ketone | |
| praziquantel | [no description available] | medium | 3 | 0 | isoquinolines | |
| primidone | [no description available] | medium | 2 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| proglumide | [no description available] | medium | 2 | 0 | benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate | anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite |
| propentofylline | [no description available] | medium | 3 | 0 | oxopurine | |
| propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| pf 5901 | [no description available] | medium | 3 | 0 | quinolines | |
| riluzole | [no description available] | medium | 3 | 0 | benzothiazoles | |
| 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 |
| ritanserin | [no description available] | medium | 3 | 0 | organofluorine compound;
piperidines;
thiazolopyrimidine | antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist |
| 4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | medium | 4 | 0 | methoxybenzenes | |
| salmeterol xinafoate | [no description available] | medium | 1 | 0 | ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound | |
| sb 202190 | [no description available] | medium | 2 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| sobuzoxane | [no description available] | medium | 1 | 0 | organic molecular entity | |
| spiroxatrine | [no description available] | medium | 2 | 0 | imidazolidines | |
| sq 22536 | [no description available] | medium | 1 | 0 | nucleoside analogue;
oxolanes | EC 4.6.1.1 (adenylate cyclase) inhibitor |
| sulfaphenazole | [no description available] | medium | 1 | 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 |
| t0156 | [no description available] | medium | 2 | 0 | naphthyridine derivative | |
| 1,4-bis(2-(3,5-dichloropyridyloxy))benzene | [no description available] | medium | 1 | 0 | | |
| terfenadine | [no description available] | medium | 3 | 0 | diarylmethane | |
| tetraisopropylpyrophosphamide | [no description available] | medium | 2 | 0 | phosphoramide | |
| thalidomide | [no description available] | medium | 1 | 0 | phthalimides;
piperidones | |
| theobromine | [no description available] | medium | 23 | 0 | dimethylxanthine | adenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| 8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
| tolazamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent;
potassium channel blocker |
| tolbutamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| (1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid | [no description available] | medium | 1 | 0 | | |
| ici 136,753 | [no description available] | medium | 2 | 0 | pyrazolopyridine | |
| triamterene | [no description available] | medium | 2 | 0 | pteridines | diuretic;
sodium channel blocker |
| trimethoprim | [no description available] | medium | 3 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| tropicamide | [no description available] | medium | 1 | 0 | acetamides | |
| tyrphostin a9 | [no description available] | medium | 2 | 0 | alkylbenzene | geroprotector |
| vigabatrin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | medium | 2 | 0 | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
| zardaverine | [no description available] | medium | 1 | 0 | organofluorine compound;
pyridazinone | anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug |
| cortisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| corticosterone | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| reserpine | [no description available] | medium | 4 | 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 |
| procaine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| isoproterenol hydrochloride | [no description available] | medium | 2 | 0 | catechols | |
| histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| carbachol | [no description available] | medium | 9 | 0 | ammonium salt;
carbamate ester | cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic |
| spironolactone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| estrone | [no description available] | medium | 3 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| androsterone | [no description available] | medium | 3 | 0 | 17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid | androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone |
| promazine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
| pilocarpine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
| dimethylphenylpiperazinium iodide | [no description available] | medium | 4 | 0 | N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
| pentylenetetrazole | [no description available] | medium | 5 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
| racepinephrine hydrochloride | [no description available] | medium | 2 | 0 | | |
| (4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | [no description available] | medium | 2 | 0 | | |
| hexamethonium bromide | [no description available] | medium | 1 | 0 | | |
| cystamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| cantharidin | [no description available] | medium | 3 | 0 | cyclic dicarboxylic anhydride;
monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide |
| tetraethylammonium chloride | [no description available] | medium | 2 | 0 | organic chloride salt;
quaternary ammonium salt | potassium channel blocker |
| aspartic acid | [no description available] | medium | 3 | 0 | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter |
| glutamine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| vincristine | [no description available] | medium | 1 | 0 | acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| physostigmine | [no description available] | medium | 2 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
| apomorphine | [no description available] | medium | 3 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
| promethazine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative |
| bromodeoxyuridine | [no description available] | medium | 3 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent |
| levodopa | [no description available] | medium | 2 | 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 |
| methoxamine hydrochloride | [no description available] | medium | 3 | 0 | dimethoxybenzene | |
| papaverine hydrochloride | [no description available] | medium | 3 | 0 | | |
| bretylium tosylate | [no description available] | medium | 3 | 0 | organosulfonate salt;
quaternary ammonium salt | adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent |
| berlition | [no description available] | medium | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid | cofactor;
nutraceutical;
prosthetic group |
| methacholine chloride | [no description available] | medium | 3 | 0 | quaternary ammonium salt | |
| androstenedione | [no description available] | medium | 3 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| colchicine | [no description available] | medium | 3 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| yohimbine hydrochloride | [no description available] | medium | 2 | 0 | | |
| gallamine triethiodide | [no description available] | medium | 1 | 0 | | |
| 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 |
| egtazic acid | [no description available] | medium | 6 | 0 | diether;
tertiary amino compound;
tetracarboxylic acid | chelator |
| cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion | antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist |
| 17-alpha-hydroxyprogesterone | [no description available] | medium | 3 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone | human metabolite;
metabolite;
mouse metabolite;
progestin |
| quinacrine monohydrochloride | [no description available] | medium | 2 | 0 | | |
| chlorpromazine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride;
phenothiazines | anticoronaviral agent;
phenothiazine antipsychotic drug |
| cytarabine hydrochloride | [no description available] | medium | 2 | 0 | | |
| tryptophan | [no description available] | medium | 2 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| lidocaine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anti-arrhythmia drug;
local anaesthetic |
| arginine | [no description available] | medium | 4 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| rotenone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| synephrine | [no description available] | medium | 1 | 0 | ethanolamines;
phenethylamine alkaloid;
phenols | alpha-adrenergic agonist;
plant metabolite |
| pyridostigmine bromide | [no description available] | medium | 2 | 0 | pyridinium salt | |
| imipramine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antidepressant |
| neostigmine bromide | [no description available] | medium | 2 | 0 | bromide salt | |
| edrophonium chloride | [no description available] | medium | 2 | 0 | chloride salt;
quaternary ammonium salt | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| suramin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug |
| pyrazolanthrone | [no description available] | medium | 2 | 0 | anthrapyrazole;
aromatic ketone;
cyclic ketone | antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector |
| methapyrilene hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| tetrracaine hydrochloride | [no description available] | medium | 2 | 0 | benzoate ester | |
| chelidamic acid | [no description available] | medium | 1 | 0 | | |
| diphenhydramine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride;
organoammonium salt | anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative |
| cysteamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| propantheline bromide | [no description available] | medium | 3 | 0 | xanthenes | |
| hydralazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent;
vasodilator agent |
| ethamivan | [no description available] | medium | 2 | 0 | methoxybenzenes;
phenols | |
| pargyline hydrochloride | [no description available] | medium | 3 | 0 | | |
| aminophylline | [no description available] | medium | 3 | 0 | mixture | bronchodilator agent;
cardiotonic drug |
| azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| orphenadrine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| betamethasone | [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;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent |
| benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | [no description available] | medium | 2 | 0 | | |
| cyproterone acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester | androgen antagonist;
geroprotector;
progestin |
| bicuculline | [no description available] | medium | 7 | 0 | benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines | agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin |
| kainic acid | [no description available] | medium | 5 | 0 | dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid | antinematodal drug;
excitatory amino acid agonist |
| podophyllotoxin | [no description available] | medium | 3 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| tetrahydrozoline hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| dequalinium chloride | [no description available] | medium | 2 | 0 | organic chloride salt | antifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor |
| decamethonium dibromide | [no description available] | medium | 2 | 0 | | |
| amitriptyline hydrochloride | [no description available] | medium | 3 | 0 | organic tricyclic compound | |
| naphazoline hydrochloride | [no description available] | medium | 3 | 0 | organic molecular entity | |
| doxylamine succinate | [no description available] | medium | 3 | 0 | organic molecular entity | |
| carbamylhydrazine monohydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| formestane | [no description available] | medium | 3 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| debrisoquin sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | |
| betaine hydrochloride | [no description available] | medium | 1 | 0 | | |
| bethanechol chloride | [no description available] | medium | 2 | 0 | carbamate ester;
chloride salt;
quaternary ammonium salt | muscarinic agonist |
| acetylcysteine | [no description available] | medium | 2 | 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 |
| Mecamylamine hydrochloride | [no description available] | medium | 2 | 0 | monoterpenoid | |
| vinblastine | [no description available] | medium | 1 | 0 | | |
| cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 3 | 0 | hydrochloride | |
| 5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 2 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite;
human metabolite |
| pimozide | [no description available] | medium | 3 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| azetidyl-2-carboxylic acid | [no description available] | medium | 1 | 0 | azetidine-2-carboxylic acid | |
| muscarine | [no description available] | medium | 1 | 0 | | |
| antazoline hydrochloride | [no description available] | medium | 3 | 0 | | |
| doxifluridine | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrimidine 5'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
prodrug |
| meclofenoxate hydrochloride | [no description available] | medium | 1 | 0 | | |
| clonidine hydrochloride | [no description available] | medium | 1 | 0 | dichlorobenzene | |
| beclomethasone | [no description available] | medium | 3 | 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 |
| buthionine sulfoximine | [no description available] | medium | 2 | 0 | diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer |
| mexiletine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
| cyclophosphamide | [no description available] | medium | 1 | 0 | hydrate | alkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent |
| suxamethonium chloride | [no description available] | medium | 1 | 0 | chloride salt | muscle relaxant |
| cyclobenzaprine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant;
muscle relaxant |
| n-methylaspartate | [no description available] | medium | 10 | 0 | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent |
| 3-deazaadenosine | [no description available] | medium | 2 | 0 | | |
| metoclopramide hydrochloride | [no description available] | medium | 3 | 0 | | |
| isoetharine mesylate | [no description available] | medium | 3 | 0 | | |
| zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| propionylpromazine hydrochloride | [no description available] | medium | 2 | 0 | | |
| camptothecin | [no description available] | medium | 2 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| nsc-145,668 | [no description available] | medium | 1 | 0 | hydrochloride | antimetabolite;
antineoplastic agent |
| clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound | antineoplastic agent;
bone density conservation agent |
| benserazide hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| pancuronium bromide | [no description available] | medium | 2 | 0 | bromide salt | cholinergic antagonist;
muscle relaxant;
nicotinic antagonist |
| tetradecanoylphorbol acetate | [no description available] | medium | 7 | 0 | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator |
| danazol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | anti-estrogen;
estrogen antagonist;
geroprotector |
| metergoline | [no description available] | medium | 3 | 0 | carbamate ester;
ergoline alkaloid | dopamine agonist;
geroprotector;
serotonergic antagonist |
| lisuride | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist |
| disopyramide phosphate | [no description available] | medium | 2 | 0 | organoammonium phosphate | |
| bromocriptine | [no description available] | medium | 1 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
| ergocristine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
| triamcinolone | [no description available] | medium | 1 | 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 |
| zidovudine | [no description available] | medium | 2 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| paclitaxel | [no description available] | medium | 2 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| buspirone hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| etoposide | [no description available] | medium | 2 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| propafenone hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anti-arrhythmia drug |
| etazolate hydrochloride | [no description available] | medium | 2 | 0 | | |
| butaclamol | [no description available] | medium | 1 | 0 | amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound | dopaminergic antagonist |
| 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 |
| carbidopa | [no description available] | medium | 2 | 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 |
| methyldopa | [no description available] | medium | 1 | 0 | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent |
| lonidamine | [no description available] | medium | 1 | 0 | dichlorobenzene;
indazoles;
monocarboxylic acid | antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector |
| dexibuprofen | [no description available] | medium | 1 | 0 | ibuprofen | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| quisqualic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
| pirfenidone | [no description available] | medium | 1 | 0 | pyridone | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| flecainide acetate | [no description available] | medium | 3 | 0 | acetate salt | anti-arrhythmia drug |
| nicardipine hydrochloride | [no description available] | medium | 3 | 0 | dihydropyridine | geroprotector |
| idarubicin | [no description available] | medium | 2 | 0 | anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative | |
| captopril | [no description available] | medium | 2 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| terazosin hydrochloride anhydrous | [no description available] | medium | 3 | 0 | | |
| pergolide mesylate | [no description available] | medium | 3 | 0 | methanesulfonate salt | antiparkinson drug;
dopamine agonist;
geroprotector |
| ranitidine hydrochloride | [no description available] | medium | 1 | 0 | | |
| colforsin | [no description available] | medium | 22 | 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 |
| cefaclor anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
| alo 2145 | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic agonist;
antiglaucoma drug |
| enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| atomoxetine | [no description available] | medium | 2 | 0 | aromatic ether;
secondary amino compound;
toluenes | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic |
| raloxifene hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| mifepristone | [no description available] | medium | 3 | 0 | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive |
| quinpirole hydrochloride | [no description available] | medium | 1 | 0 | | |
| imazodan | [no description available] | medium | 1 | 0 | | |
| mibefradil dihydrochloride | [no description available] | medium | 2 | 0 | | |
| aptiganel hydrochloride | [no description available] | medium | 2 | 0 | | |
| phenelzine sulfate | [no description available] | medium | 2 | 0 | organic molecular entity | |
| fluoxetine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
| propranolol hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
| bupropion hydrochloride | [no description available] | medium | 2 | 0 | aromatic ketone | |
| diltiazem hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| trazodone hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | adrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| verapamil hydrochloride | [no description available] | medium | 3 | 0 | | |
| doxazosin mesylate | [no description available] | medium | 3 | 0 | methanesulfonate salt | geroprotector |
| terfenadine | [no description available] | medium | 2 | 0 | diarylmethane | |
| amantadine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antiviral agent;
dopamine agonist;
NMDA receptor antagonist |
| mevastatin | [no description available] | medium | 1 | 0 | 2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite |
| chloroquine diphosphate | [no description available] | medium | 2 | 0 | | |
| dobutamine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent |
| desipramine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | drug allergen |
| dopamine hydrochloride | [no description available] | medium | 3 | 0 | catecholamine | |
| proadifen hydrochloride | [no description available] | medium | 2 | 0 | | |
| 4-nitrobenzylthioinosine | [no description available] | medium | 10 | 0 | purine nucleoside | |
| rutecarpine | [no description available] | medium | 2 | 0 | beta-carbolines | |
| trihexyphenidyl hydrochloride | [no description available] | medium | 3 | 0 | aralkylamine | |
| thioridazine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | first generation antipsychotic;
geroprotector |
| procainamide hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
| siquil | [no description available] | medium | 3 | 0 | hydrochloride | anticoronaviral agent |
| sotalol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug;
beta-adrenergic antagonist |
| oxymetazoline hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| alprenolol hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
| 2-methoxyestradiol | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite |
| fluphenazine hydrochloride | [no description available] | medium | 2 | 0 | phenothiazines | anticoronaviral agent |
| tryptamine monohydrochloride | [no description available] | medium | 2 | 0 | | |
| clomipramine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug |
| amiloride hydrochloride | [no description available] | medium | 2 | 0 | hydrate | diuretic;
sodium channel blocker |
| prazosin hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
| mianserin hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | geroprotector |
| lomefloxacin hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antimicrobial agent;
antitubercular agent;
photosensitizing agent |
| fenspiride hydrochloride | [no description available] | medium | 2 | 0 | | |
| nilverm | [no description available] | medium | 2 | 0 | organic molecular entity | |
| sanguinarine chloride | [no description available] | medium | 2 | 0 | | |
| ropinirole hydrochloride | [no description available] | medium | 2 | 0 | indoles | |
| plasmenylserine | [no description available] | medium | 1 | 0 | O-phosphoserine | EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 5-aminovaleric acid hydrochloride | [no description available] | medium | 1 | 0 | | |
| n-acetyltryptamine | [no description available] | medium | 1 | 0 | acetamides;
indoles | |
| D-serine | [no description available] | medium | 1 | 0 | D-alpha-amino acid;
serine zwitterion;
serine | Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist |
| dihydroergotamine mesylate | [no description available] | medium | 2 | 0 | methanesulfonate salt | non-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent |
| ranolazine hydrochloride | [no description available] | medium | 2 | 0 | | |
| loxapine succinate | [no description available] | medium | 3 | 0 | succinate salt | geroprotector |
| guanfacine hydrochloride | [no description available] | medium | 3 | 0 | acetamides | geroprotector |
| pirenzepine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| labetalol hydrochloride | [no description available] | medium | 3 | 0 | salicylamides | |
| acecainide hydrochloride | [no description available] | medium | 2 | 0 | | |
| loperamide hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| maprotiline hydrochloride | [no description available] | medium | 3 | 0 | anthracenes | |
| protoporphyrin ix, disodium salt | [no description available] | medium | 1 | 0 | | |
| siguazodan | [no description available] | medium | 1 | 0 | pyridazinone | |
| 3-octadecanamido-2-ethoxypropylphosphocholine | [no description available] | medium | 1 | 0 | | |
| chelerythrine chloride | [no description available] | medium | 2 | 0 | | |
| tosyllysine chloromethyl ketone | [no description available] | medium | 2 | 0 | | |
| 5-(n-methyl-n-isobutyl)amiloride | [no description available] | medium | 2 | 0 | | |
| 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor |
| amperozide hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist |
| pyrrolidine dithiocarbamic acid | [no description available] | medium | 2 | 0 | | |
| agroclavine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
| s-methylisothiourea sulfate | [no description available] | medium | 1 | 0 | | |
| p-Aminobenzamidine dihydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
| benzamidine hydrochloride | [no description available] | medium | 1 | 0 | | |
| ketorolac tromethamine | [no description available] | medium | 1 | 0 | organoammonium salt | analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor |
| methionine sulfoximine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion;
L-methionine derivative;
methionine sulfoximine;
non-proteinogenic L-alpha-amino acid | EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
geroprotector |
| tretazicar | [no description available] | medium | 1 | 0 | | |
| carbetapentane citrate | [no description available] | medium | 2 | 0 | carbonyl compound | |
| phentolamine mesylate | [no description available] | medium | 3 | 0 | | |
| mephentermine | [no description available] | medium | 2 | 0 | 2-aminooctadecane-1,3-diol | EC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite |
| oxybutynin hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
| nimustine | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
| cordium | [no description available] | medium | 1 | 0 | hydrate;
hydrochloride | |
| L-2-aminoadipic acid | [no description available] | medium | 1 | 0 | 2-aminoadipic acid | Escherichia coli metabolite;
human metabolite |
| prilocaine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | local anaesthetic |
| mor-14 | [no description available] | medium | 1 | 0 | hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound | anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite |
| brexanolone | [no description available] | medium | 2 | 0 | 3-hydroxy-5alpha-pregnan-20-one | antidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative |
| hexamethonium chloride | [no description available] | medium | 1 | 0 | | |
| 6-(4-nitrobenzylthio)guanosine | [no description available] | medium | 2 | 0 | | |
| 3-aminopropylphosphonic acid | [no description available] | medium | 1 | 0 | phosphonic acids;
primary amino compound;
zwitterion | GABAB receptor agonist |
| 5'-n-methylcarboxamideadenosine | [no description available] | medium | 4 | 0 | | |
| zpck | [no description available] | medium | 2 | 0 | | |
| tetrahydrodeoxycorticosterone | [no description available] | medium | 2 | 0 | 21-hydroxy steroid | |
| mizoribine | [no description available] | medium | 2 | 0 | imidazoles | anticoronaviral agent |
| 1-amino-1,3-dicarboxycyclopentane | [no description available] | medium | 2 | 0 | | |
| u 73122 | [no description available] | medium | 4 | 0 | aromatic ether;
aza-steroid;
maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
| alphaxalone | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
| s-nitrosoglutathione | [no description available] | medium | 1 | 0 | glutathione derivative;
nitrosothio compound | bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule |
| cp-55,940 | [no description available] | medium | 2 | 0 | | |
| vanoxerine | [no description available] | medium | 2 | 0 | hydrochloride | dopamine uptake inhibitor |
| methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | [no description available] | medium | 2 | 0 | beta-carbolines | |
| u 69593 | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound | anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist |
| cv 3988 | [no description available] | medium | 2 | 0 | | |
| beta-carboline-3-carboxylic acid methyl ester | [no description available] | medium | 2 | 0 | beta-carbolines | |
| methoctramine | [no description available] | medium | 2 | 0 | hydrochloride | muscarinic antagonist |
| hypotaurine | [no description available] | medium | 1 | 0 | aminosulfinic acid;
zwitterion | human metabolite;
metabolite;
mouse metabolite |
| dihydrokainate | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
| gabazine | [no description available] | medium | 1 | 0 | | |
| cl 218872 | [no description available] | medium | 1 | 0 | pyridazines;
ring assembly | |
| betaxolol hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antihypertensive agent;
beta-adrenergic antagonist |
| catechin | [no description available] | medium | 1 | 0 | hydrate | geroprotector |
| 1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine | [no description available] | medium | 2 | 0 | hydrobromide | serotonergic antagonist |
| s-methylthiocitrulline | [no description available] | medium | 1 | 0 | imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent |
| dihydrocapsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | |
| ml 9 | [no description available] | medium | 2 | 0 | | |
| parthenolide | [no description available] | medium | 2 | 0 | germacranolide | |
| 3',4'-dichlorobenzamil | [no description available] | medium | 2 | 0 | guanidines;
pyrazines | |
| 1-(carboxymethylthio)tetradecane | [no description available] | medium | 1 | 0 | straight-chain fatty acid | |
| 2-iodomelatonin | [no description available] | medium | 1 | 0 | acetamides | |
| arcaine, sulfate | [no description available] | medium | 1 | 0 | | |
| gr 113808 | [no description available] | medium | 2 | 0 | indolyl carboxylate ester;
piperidines;
sulfonamide | serotonergic antagonist |
| gallopamil hydrochloride | [no description available] | medium | 3 | 0 | | |
| gamma-glutamylaminomethylsulfonic acid | [no description available] | medium | 1 | 0 | | |
| buthionine sulfoximine | [no description available] | medium | 2 | 0 | 2-amino-4-(S-butylsulfonimidoyl)butanoic acid | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer |
| sb 204070a | [no description available] | medium | 2 | 0 | | |
| 1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline | geroprotector;
serotonergic agonist |
| l 655240 | [no description available] | medium | 1 | 0 | methylindole | |
| san 58035 | [no description available] | medium | 2 | 0 | | |
| nnc 711 | [no description available] | medium | 1 | 0 | | |
| 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide | [no description available] | medium | 2 | 0 | diarylmethane | |
| e 64 | [no description available] | medium | 2 | 0 | dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion | antimalarial;
antiparasitic agent;
protease inhibitor |
| azetidine-2,4-dicarboxylic acid | [no description available] | medium | 1 | 0 | | |
| pre 084 | [no description available] | medium | 2 | 0 | morpholines | |
| methotrexate | [no description available] | medium | 3 | 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 |
| 1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol | [no description available] | medium | 2 | 0 | | |
| sr 2640 | [no description available] | medium | 2 | 0 | quinolines | |
| ici 204448 | [no description available] | medium | 1 | 0 | | |
| 4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride | [no description available] | medium | 1 | 0 | | |
| n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide | [no description available] | medium | 2 | 0 | phenylindole | |
| 3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | [no description available] | medium | 1 | 0 | | |
| l 741626 | [no description available] | medium | 2 | 0 | piperidines | |
| nisoxetine hydrochloride | [no description available] | medium | 2 | 0 | | |
| ng-nitroarginine methyl ester | [no description available] | medium | 1 | 0 | hydrochloride | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| tilarginine acetate | [no description available] | medium | 1 | 0 | | |
| alpha-guanidinoglutaric acid | [no description available] | medium | 1 | 0 | L-glutamic acid derivative | |
| 3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | [no description available] | medium | 3 | 0 | | |
| imidazole-4-acetic acid hydrochloride | [no description available] | medium | 1 | 0 | | |
| nsc-141549 | [no description available] | medium | 2 | 0 | | |
| 2-chloro-2-deoxyglucose | [no description available] | medium | 1 | 0 | | |
| idazoxan hydrochloride | [no description available] | medium | 3 | 0 | | |
| isoguvacine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 8-methoxymethyl-3-isobutyl-1-methylxanthine | [no description available] | medium | 1 | 0 | oxopurine | |
| cyc 202 | [no description available] | medium | 2 | 0 | 2,6-diaminopurines | antiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| Serotonin hydrochloride | [no description available] | medium | 1 | 0 | tryptamines | |
| n-phthaloylglutamic acid | [no description available] | medium | 1 | 0 | L-glutamic acid derivative;
phthalimides | |
| 1,3-dipropyl-7-methylxanthine | [no description available] | medium | 1 | 0 | | |
| ag 3-5 | [no description available] | medium | 1 | 0 | C-nitro compound | |
| n-n-propylnorapomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
| urapidil monohydrochloride | [no description available] | medium | 2 | 0 | | |
| aminopterin | [no description available] | medium | 2 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen |
| azepexole, dihydrochloride | [no description available] | medium | 1 | 0 | | |
| 2,5-dimethoxy-4-iodoamphetamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| abt 980 | [no description available] | medium | 2 | 0 | | |
| sk&f 75670 | [no description available] | medium | 2 | 0 | | |
| esatenolol | [no description available] | medium | 1 | 0 | atenolol | beta-adrenergic antagonist |
| nbi 27914 | [no description available] | medium | 2 | 0 | dialkylarylamine;
tertiary amino compound | |
| sb 216763 | [no description available] | medium | 2 | 0 | indoles;
maleimides | |
| (R)-atenolol | [no description available] | medium | 1 | 0 | atenolol | |
| memantine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist |
| pefabloc | [no description available] | medium | 1 | 0 | | |
| pongidae | [no description available] | medium | 2 | 0 | | |
| succinylproline | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| sb 205384 | [no description available] | medium | 2 | 0 | thienopyridine | |
| hydrastine | [no description available] | medium | 2 | 0 | isoquinolines | metabolite |
| gabaculine hydrochloride | [no description available] | medium | 1 | 0 | | |
| etiron monohydrobromide | [no description available] | medium | 1 | 0 | | |
| bmy 7378 | [no description available] | medium | 1 | 0 | | |
| vesamicol | [no description available] | medium | 1 | 0 | | |
| cortisone | [no description available] | medium | 2 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| vincristine sulfate | [no description available] | medium | 2 | 0 | organic sulfate salt | antineoplastic agent;
geroprotector |
| n-methylserotonin oxalate salt | [no description available] | medium | 1 | 0 | | |
| nsc 95397 | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones | |
| wortmannin | [no description available] | medium | 3 | 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 |
| lithium chloride | [no description available] | medium | 1 | 0 | inorganic chloride;
lithium salt | antimanic drug;
geroprotector |
| canavanine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | phytogenic insecticide;
plant metabolite |
| 5-hydroxytryptophan | [no description available] | medium | 1 | 0 | 5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid | human metabolite;
mouse metabolite;
plant metabolite |
| ouabain | [no description available] | medium | 3 | 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 |
| tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 2 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
| monoiodotyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
L-tyrosine derivative;
monoiodotyrosine;
non-proteinogenic L-alpha-amino acid | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
human metabolite;
mouse metabolite |
| nitroarginine | [no description available] | medium | 3 | 0 | guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid | |
| willardiine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid | |
| cortodoxone | [no description available] | medium | 3 | 0 | deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| amiodarone hydrochloride | [no description available] | medium | 3 | 0 | aromatic ketone | |
| dicyclomine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antispasmodic drug;
muscarinic antagonist |
| 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 |
| nortriptyline hydrochloride | [no description available] | medium | 3 | 0 | organic tricyclic compound | geroprotector |
| paromomycin sulfate | [no description available] | medium | 1 | 0 | | |
| Dubinidine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
| s-(4-azidophenacyl)glutathione | [no description available] | medium | 1 | 0 | peptide | |
| hydroxylamine hydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
| sb 228357 | [no description available] | medium | 2 | 0 | indolyl carboxylic acid | |
| 3,5-dihydroxyphenylglycine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols | |
| actinonin | [no description available] | medium | 2 | 0 | | |
| vinpocetine | [no description available] | medium | 3 | 0 | alkaloid | geroprotector |
| dihydroergocristine monomesylate | [no description available] | medium | 3 | 0 | methanesulfonate salt | alpha-adrenergic antagonist;
geroprotector;
vasodilator agent |
| tretinoin | [no description available] | medium | 3 | 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 |
| resveratrol | [no description available] | medium | 3 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| thapsigargin | [no description available] | medium | 3 | 0 | butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone | calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
| brivudine | [no description available] | medium | 1 | 0 | | |
| 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | [no description available] | medium | 2 | 0 | carbotetracyclic compound;
polyphenol | estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent |
| 2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid | [no description available] | medium | 1 | 0 | | |
| 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 |
| 1,4-dideoxy-1,4-imino-d-arabinitol | [no description available] | medium | 1 | 0 | | |
| purvalanol a | [no description available] | medium | 1 | 0 | purvalanol | |
| melphalan | [no description available] | medium | 2 | 0 | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| isoliquiritigenin | [no description available] | medium | 2 | 0 | chalcones | antineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist |
| rauwolscine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
| gw9662 | [no description available] | medium | 2 | 0 | benzamides | |
| calmidazolium | [no description available] | medium | 2 | 0 | organic chloride salt | apoptosis inducer;
calmodulin antagonist |
| tropisetron hydrochloride | [no description available] | medium | 2 | 0 | | |
| Reactive blue 2 | [no description available] | medium | 1 | 0 | anthraquinone | |
| 5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one | [no description available] | medium | 1 | 0 | dichlorobenzene | |
| quinidine sulfate | [no description available] | medium | 2 | 0 | | |
| ipratropium bromide anhydrous | [no description available] | medium | 2 | 0 | | |
| methamilane methiodide | [no description available] | medium | 2 | 0 | | |
| pilocarpine nitrate | [no description available] | medium | 2 | 0 | | |
| r 59949 | [no description available] | medium | 2 | 0 | diarylmethane | |
| methylatropine nitrate | [no description available] | medium | 2 | 0 | | |
| sb 366791 | [no description available] | medium | 2 | 0 | | |
| ag-213 | [no description available] | medium | 2 | 0 | | |
| 3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 3 | 0 | catechols;
polyphenol;
resorcinols;
stilbenol | antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor |
| bemesetron | [no description available] | medium | 2 | 0 | | |
| (S)-(-)-pindolol | [no description available] | medium | 1 | 0 | pindolol | |
| levosulpiride | [no description available] | medium | 1 | 0 | sulpiride | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
| caffeic acid | [no description available] | medium | 2 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| 4-fluorophenyl-L-alanine | [no description available] | medium | 2 | 0 | 4-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid | |
| urocanic acid | [no description available] | medium | 2 | 0 | urocanic acid | human metabolite |
| cotinine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid | antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite |
| cinnarizine | [no description available] | medium | 3 | 0 | diarylmethane;
N-alkylpiperazine;
olefinic compound | anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist |
| sulindac | [no description available] | medium | 1 | 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 |
| cysteine sulfinic acid | [no description available] | medium | 1 | 0 | organosulfinic acid;
S-substituted L-cysteine | Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite |
| d-ap7 | [no description available] | medium | 1 | 0 | | |
| (1R,2S)-tranylcypromine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
| tacrine hydrochloride | [no description available] | medium | 3 | 0 | | |
| 4-bromotetramisole, oxalate (1:1), salt(s)-isomer | [no description available] | medium | 2 | 0 | | |
| 3-hydroxybenzylhydrazine hydrochloride | [no description available] | medium | 2 | 0 | | |
| 1-(3-chlorophenyl)biguanide hydrochloride | [no description available] | medium | 2 | 0 | | |
| 4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer | [no description available] | medium | 1 | 0 | | |
| capsazepine | [no description available] | medium | 2 | 0 | benzazepine;
catechols;
monochlorobenzenes;
thioureas | capsaicin receptor antagonist |
| diphenyleneiodium chloride | [no description available] | medium | 2 | 0 | organic chloride salt | EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
G-protein-coupled receptor agonist |
| azetidine-2,4-dicarboxylic acid, (cis)-isomer | [no description available] | medium | 1 | 0 | | |
| tamoxifen citrate | [no description available] | medium | 2 | 0 | citrate salt | angiogenesis inhibitor;
anticoronaviral agent |
| pimagedine hydrochloride | [no description available] | medium | 1 | 0 | | |
| Betaine Aldehyde Chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| eskazine | [no description available] | medium | 3 | 0 | | |
| monastrol | [no description available] | medium | 1 | 0 | enoate ester;
ethyl ester;
phenols;
racemate;
thioureas | antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor |
| 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 |
| 4-diphenylacetoxy-n-methylpiperidine methiodide | [no description available] | medium | 2 | 0 | iodide salt;
quaternary ammonium salt | cholinergic antagonist;
muscarinic antagonist |
| 1-(4-hydroxybenzyl)imidazole-2-thiol | [no description available] | medium | 1 | 0 | | |
| bp 897 | [no description available] | medium | 2 | 0 | naphthalenecarboxamide | |
| trequinsin hydrochloride | [no description available] | medium | 2 | 0 | | |
| neboglamine | [no description available] | medium | 1 | 0 | | |
| benzatropine methanesulfonate | [no description available] | medium | 2 | 0 | | |
| sb 203186 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | [no description available] | medium | 2 | 0 | 1,2-thiazoles;
indoles;
ureas | receptor modulator;
serotonergic antagonist |
| gw 7647 | [no description available] | medium | 2 | 0 | aryl sulfide;
monocarboxylic acid;
ureas | PPARalpha agonist |
| ro 41-0960 | [no description available] | medium | 2 | 0 | | |
| cgp 13501 | [no description available] | medium | 1 | 0 | alkylbenzene | |
| n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide | [no description available] | medium | 2 | 0 | | |
| brl 15572 | [no description available] | medium | 2 | 0 | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol | geroprotector;
serotonergic antagonist |
| or486 | [no description available] | medium | 1 | 0 | | |
| fg 9041 | [no description available] | medium | 3 | 0 | quinoxaline derivative | |
| iik7 | [no description available] | medium | 1 | 0 | | |
| sb 415286 | [no description available] | medium | 2 | 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 |
| dm 235 | [no description available] | medium | 2 | 0 | | |
| jhw 015 | [no description available] | medium | 2 | 0 | indolecarboxamide | |
| bw 723c86 | [no description available] | medium | 2 | 0 | tryptamines | |
| sc 560 | [no description available] | medium | 2 | 0 | aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug |
| sc-19220 | [no description available] | medium | 1 | 0 | aromatic ether | |
| le 300 | [no description available] | medium | 2 | 0 | indoles | |
| ly 367265 | [no description available] | medium | 2 | 0 | dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline | antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor |
| diclofenac sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
| cgp 7930 | [no description available] | medium | 2 | 0 | alkylbenzene | |
| 1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | [no description available] | medium | 2 | 0 | phenols;
pyrazoles | estrogen receptor agonist |
| sib 1757 | [no description available] | medium | 2 | 0 | | |
| sphingosine | [no description available] | medium | 1 | 0 | sphing-4-enine | human metabolite;
mouse metabolite |
| apigenin | [no description available] | medium | 3 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
| luteolin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid;
tetrahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist |
| daphnetin | [no description available] | medium | 2 | 0 | hydroxycoumarin | |
| genistein | [no description available] | medium | 2 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| 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 |
| timolol maleate | [no description available] | medium | 3 | 0 | maleate salt | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| brompheniramine maleate | [no description available] | medium | 3 | 0 | maleate salt | anti-allergic agent |
| chlorpheniramine maleate | [no description available] | medium | 2 | 0 | organic molecular entity | |
| clemastine fumarate | [no description available] | medium | 2 | 0 | fumarate salt | anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist |
| methylergonovine maleate | [no description available] | medium | 2 | 0 | ergoline alkaloid | geroprotector |
| astaxanthine | [no description available] | medium | 2 | 0 | carotenol;
carotenone | animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite |
| harman | [no description available] | medium | 2 | 0 | harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| morin | [no description available] | medium | 1 | 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 |
| myricetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
| daidzein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
| caffeic acid phenethyl ester | [no description available] | medium | 2 | 0 | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent |
| rottlerin | [no description available] | medium | 2 | 0 | aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone | anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite |
| flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
| n-oleoyldopamine | [no description available] | medium | 2 | 0 | catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide | TRPV1 agonist |
| pheniramine maleate | [no description available] | medium | 2 | 0 | organic molecular entity | |
| tranilast | [no description available] | medium | 3 | 0 | amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide | anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent |
| trimipramine maleate | [no description available] | medium | 2 | 0 | maleate salt | antidepressant |
| isotretinoin | [no description available] | medium | 2 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| xylometazoline hydrochloride | [no description available] | medium | 3 | 0 | | |
| flunarizine hydrochloride | [no description available] | medium | 2 | 0 | diarylmethane | |
| ketotifen fumarate | [no description available] | medium | 3 | 0 | organoammonium salt | anti-asthmatic drug;
H1-receptor antagonist |
| cis-flupenthixol dihydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | geroprotector |
| n-arachidonylglycine | [no description available] | medium | 2 | 0 | fatty amide;
N-acylglycine | |
| n-oleoylethanolamine | [no description available] | medium | 2 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist |
| cyclosporine | [no description available] | medium | 2 | 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 |
| phenoxybenzamine hydrochloride | [no description available] | medium | 3 | 0 | organic molecular entity | |
| phenylephrine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
| mepyramine maleate | [no description available] | medium | 3 | 0 | | |
| brefeldin a | [no description available] | medium | 2 | 0 | macrolide antibiotic | Penicillium metabolite |
| fenretinide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant |
| 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | medium | 2 | 0 | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent |
| l-2-(carboxypropyl)glycine | [no description available] | medium | 1 | 0 | | |
| 4-aminocrotonic acid | [no description available] | medium | 1 | 0 | | |
| denopamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| l 655,708 | [no description available] | medium | 2 | 0 | | |
| ro 41-1049 | [no description available] | medium | 1 | 0 | | |
| sb 200646a | [no description available] | medium | 2 | 0 | | |
| seglitide | [no description available] | medium | 1 | 0 | | |
| sib 1893 | [no description available] | medium | 1 | 0 | | |
| su 6656 | [no description available] | medium | 2 | 0 | | |
| tyrphostin ag 555 | [no description available] | medium | 3 | 0 | | |
| tyrphostin ag-494 | [no description available] | medium | 1 | 0 | | |
| tyrphostin b44 | [no description available] | medium | 2 | 0 | | |
| ag-490 | [no description available] | medium | 2 | 0 | catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide | anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor |
| ag 112 | [no description available] | medium | 2 | 0 | | |
| ag 183 | [no description available] | medium | 2 | 0 | | |
| semaxinib | [no description available] | medium | 2 | 0 | olefinic compound;
oxindoles;
pyrroles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| 8-(3-chlorostyryl)caffeine | [no description available] | medium | 5 | 0 | monochlorobenzenes;
trimethylxanthine | adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| bay 11-7085 | [no description available] | medium | 2 | 0 | benzenes;
nitrile;
sulfone | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor |
| molsidomine | [no description available] | medium | 2 | 0 | ethyl ester;
morpholines;
oxadiazole;
zwitterion | antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent |
| diamide | [no description available] | medium | 1 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
| nomifensine maleate | [no description available] | medium | 2 | 0 | | |
| nalbuphine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
| isoalloxazine | [no description available] | medium | 2 | 0 | benzo[g]pteridine-2,4-dione | |
| vinblastine sulfate | [no description available] | medium | 3 | 0 | | |
| n-methylscopolamine bromide | [no description available] | medium | 2 | 0 | | |
| dextromethorphan hydrobromide | [no description available] | medium | 2 | 0 | hydrate;
hydrobromide | |
| naloxone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| s-trans,trans-farnesylthiosalicylic acid | [no description available] | medium | 2 | 0 | sesquiterpenoid | |
| sulindac sulfone | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organofluorine compound;
sulfone | apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| naltrexone hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| guanabenz acetate | [no description available] | medium | 3 | 0 | dichlorobenzene | geroprotector |
| nylidrin hydrochloride | [no description available] | medium | 3 | 0 | alkylbenzene | |
| triprolidine hydrochloride anhydrous | [no description available] | medium | 3 | 0 | hydrochloride | H1-receptor antagonist |
| 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 |
| tiapridex | [no description available] | medium | 2 | 0 | benzamides | |
| quipazine maleate | [no description available] | medium | 2 | 0 | | |
| n-(2-aminoethyl)-4-chlorobenzamide hydrochloride | [no description available] | medium | 1 | 0 | | |
| tulobuterol hydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
| hp 029 | [no description available] | medium | 2 | 0 | | |
| n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide | [no description available] | medium | 1 | 0 | | |
| 6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one | [no description available] | medium | 2 | 0 | naphthalenes | |
| nf023 | [no description available] | medium | 1 | 0 | | |
| nf 449 | [no description available] | medium | 2 | 0 | | |
| gr 46611 | [no description available] | medium | 1 | 0 | | |
| diacetylmonoxime | [no description available] | medium | 1 | 0 | | |
| homatropine hydrobromide, (endo-(+-)-isomer) | [no description available] | medium | 2 | 0 | | |
| vancomycin hydrochloride | [no description available] | medium | 1 | 0 | | |
| moxisylyte hydrochloride | [no description available] | medium | 2 | 0 | monoterpenoid | |
| dizocilpine maleate | [no description available] | medium | 11 | 0 | maleate salt;
tetracyclic antidepressant | anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist |
| beta-aminopropionitrile fumarate | [no description available] | medium | 1 | 0 | | |
| flupirtine | [no description available] | medium | 2 | 0 | | |
| zimelidine hydrochloride | [no description available] | medium | 2 | 0 | | |
| pregna-4,17-diene-3,16-dione, (17z)-isomer | [no description available] | medium | 2 | 0 | | |
| su 4312 | [no description available] | medium | 2 | 0 | | |
| gw 1929 | [no description available] | medium | 2 | 0 | benzophenones | |
| protriptyline hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antidepressant |
| n(4)-chloroacetylcytosine arabinoside | [no description available] | medium | 1 | 0 | | |
| n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide | [no description available] | medium | 2 | 0 | | |
| n-(4-amino-2-chlorophenyl)phthalimide | [no description available] | medium | 1 | 0 | | |
| cb 34 | [no description available] | medium | 1 | 0 | | |
| b 43 | [no description available] | medium | 2 | 0 | aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
| (8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
| (8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
| 3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane | [no description available] | medium | 1 | 0 | | |
| 2-(3,3-diphenylpropylamino)acetamide | [no description available] | medium | 2 | 0 | diarylmethane | |
| 4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide | [no description available] | medium | 1 | 0 | | |
| gw2974 | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
| l 162313 | [no description available] | medium | 2 | 0 | | |
| l-165041 | [no description available] | medium | 1 | 0 | aromatic ketone | |
| mrs 1754 | [no description available] | medium | 1 | 0 | oxopurine | |
| s-nitroso-n-acetylpenicillamine | [no description available] | medium | 1 | 0 | nitroso compound;
nitrosothio compound | nitric oxide donor;
vasodilator agent |
| pd 404182 | [no description available] | medium | 1 | 0 | | |
| sb 222200 | [no description available] | medium | 2 | 0 | quinolines | |
| dantrolene sodium | [no description available] | medium | 2 | 0 | | |
| cr 2945 | [no description available] | medium | 2 | 0 | | |
| sb 218795 | [no description available] | medium | 2 | 0 | quinolines | |
| dihydroceramide | [no description available] | medium | 1 | 0 | N-acylsphinganine | |
| epinephrine bitartrate | [no description available] | medium | 3 | 0 | | |
| bicuculline methobromide | [no description available] | medium | 4 | 0 | | |
| butylscopolammonium bromide | [no description available] | medium | 2 | 0 | | |
| butaclamol hydrochloride | [no description available] | medium | 3 | 0 | | |
| a 38503 | [no description available] | medium | 2 | 0 | | |
| 8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide | [no description available] | medium | 1 | 0 | | |
| sk&f 89976-a | [no description available] | medium | 1 | 0 | | |
| fluvoxamine maleate | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes | |
| naloxone benzoylhydrazone | [no description available] | medium | 2 | 0 | | |
| 2-methyl-6-(phenylethynyl)pyridine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anxiolytic drug;
metabotropic glutamate receptor antagonist |
| amiprilose | [no description available] | medium | 1 | 0 | | |
| (R)-fluoxetine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant;
serotonin uptake inhibitor |
| desmethylselegiline hydrochloride | [no description available] | medium | 1 | 0 | | |
| 3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 3 | 0 | | |
| t 1032 | [no description available] | medium | 2 | 0 | | |
| qx-314 bromide | [no description available] | medium | 1 | 0 | | |
| (S)-fluoxetine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant;
serotonin uptake inhibitor |
| sr 59230a | [no description available] | medium | 2 | 0 | | |
| u 74389g | [no description available] | medium | 2 | 0 | | |
| 1-(2-methoxyphenyl)piperazine hydrochloride | [no description available] | medium | 2 | 0 | | |
| y 27632, dihydrochloride, (4(r)-trans)-isomer | [no description available] | medium | 1 | 0 | | |
| noscapine hydrochloride | [no description available] | medium | 2 | 0 | | |
| a 77636 | [no description available] | medium | 2 | 0 | hydrochloride | antiparkinson drug;
dopamine agonist |
| cgp 20712a | [no description available] | medium | 3 | 0 | | |
| levodopa methyl ester hydrochloride | [no description available] | medium | 2 | 0 | | |
| benalfocin hydrochloride | [no description available] | medium | 1 | 0 | | |
| lu 19005 | [no description available] | medium | 2 | 0 | | |
| benoxathian hydrochloride | [no description available] | medium | 2 | 0 | | |
| ((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer | [no description available] | medium | 2 | 0 | | |
| n-cyclopropyl adenosine-5'-carboxamide | [no description available] | medium | 2 | 0 | | |
| cefotaxime sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
| calpain inhibitor iii | [no description available] | medium | 2 | 0 | | |
| GR 127935 hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | serotonergic antagonist |
| mrs 1845 | [no description available] | medium | 2 | 0 | | |
| 1-aminocyclopropane-1-carboxylic acid hydrochloride | [no description available] | medium | 2 | 0 | | |
| alaproclate hydrochloride | [no description available] | medium | 2 | 0 | | |
| ubenimex | [no description available] | medium | 2 | 0 | peptide | |
| 3-chloroalanine hydrochloride, (l-ala)-isomer | [no description available] | medium | 1 | 0 | | |
| dsp 4 hydrochloride | [no description available] | medium | 2 | 0 | | |
| calcimycin | [no description available] | medium | 2 | 0 | benzoxazole | |
| (2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | alpha-adrenergic antagonist |
| 2-cyclooctyl-2-hydroxyethylamine hydrochloride | [no description available] | medium | 2 | 0 | | |
| cirazoline monohydrochloride | [no description available] | medium | 2 | 0 | | |
| adtn | [no description available] | medium | 2 | 0 | | |
| apocodeine hydrochloride, (r)-isomer | [no description available] | medium | 2 | 0 | | |
| Dihydro-beta-erythroidine hydrobromide | [no description available] | medium | 1 | 0 | indoles | |
| lilly 78335 | [no description available] | medium | 2 | 0 | | |
| efaroxan hydrochloride | [no description available] | medium | 2 | 0 | | |
| fenoldopam hydrobromide | [no description available] | medium | 2 | 0 | | |
| 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | dopamine uptake inhibitor |
| guvacine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide | [no description available] | medium | 2 | 0 | | |
| 8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer, | [no description available] | medium | 2 | 0 | organic molecular entity | |
| 1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one | [no description available] | medium | 2 | 0 | hydrochloride | receptor modulator;
serotonergic antagonist |
| 4-iodoclonidine | [no description available] | medium | 2 | 0 | | |
| 4-methylpyrazole monohydrochloride | [no description available] | medium | 1 | 0 | | |
| tele-methylhistamine | [no description available] | medium | 1 | 0 | | |
| alpha-methyltyrosine methyl ester, monohydrochloride | [no description available] | medium | 2 | 0 | | |
| octoclothepine maleate | [no description available] | medium | 2 | 0 | | |
| 2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride | [no description available] | medium | 2 | 0 | | |
| du 24565 | [no description available] | medium | 2 | 0 | | |
| 2-methoxyidazoxan hydrochloride | [no description available] | medium | 2 | 0 | | |
| ro 25-6981 | [no description available] | medium | 2 | 0 | | |
| sk&f 77434 | [no description available] | medium | 2 | 0 | hydrobromide | dopamine agonist;
prodrug |
| 3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea | [no description available] | medium | 2 | 0 | organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
| demethylcantharidin | [no description available] | medium | 2 | 0 | | |
| atropine sulfate | [no description available] | medium | 2 | 0 | | |
| 1-deoxynojirimycin hydrochloride | [no description available] | medium | 1 | 0 | | |
| win 62577 | [no description available] | medium | 2 | 0 | | |
| quinine sulfate | [no description available] | medium | 2 | 0 | hydrate | |
| quercetin | [no description available] | medium | 2 | 0 | | |
| rv 538, (r-(r*,r*))-isomer | [no description available] | medium | 2 | 0 | | |
| 3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer | [no description available] | medium | 2 | 0 | | |
| valproate sodium | [no description available] | medium | 1 | 0 | organic sodium salt | geroprotector |
| u 63557a | [no description available] | medium | 1 | 0 | | |
| taurocholic acid, monosodium salt | [no description available] | medium | 2 | 0 | bile salt | |
| cefmetazole sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antimicrobial agent |
| fusidate sodium | [no description available] | medium | 2 | 0 | | |
| 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 | |
| cefazolin sodium | [no description available] | medium | 3 | 0 | organic sodium salt | |
| 5-hydroxydecanoic acid, monosodium salt | [no description available] | medium | 1 | 0 | | |
| ro13-9904 | [no description available] | medium | 1 | 0 | | |
| phenytoin sodium | [no description available] | medium | 1 | 0 | | |
| cr 1409 | [no description available] | medium | 1 | 0 | | |
| cortisol succinate, sodium salt | [no description available] | medium | 2 | 0 | organic molecular entity | |
| piroxicam | [no description available] | medium | 3 | 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 |
| 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 |
| l 701324 | [no description available] | medium | 1 | 0 | quinolines | |
| hispidin | [no description available] | medium | 2 | 0 | 2-pyranones;
catechols | antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite |
| minocycline hydrochloride | [no description available] | medium | 2 | 0 | | |
| demeclocycline hydrochloride | [no description available] | medium | 3 | 0 | | |
| acyclovir | [no description available] | medium | 2 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| sepiapterin | [no description available] | medium | 1 | 0 | sepiapterin | |
| isoxanthopterin | [no description available] | medium | 1 | 0 | dihydroxypteridine | |
| clozapine | [no description available] | medium | 3 | 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 |
| ganciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| zaprinast | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
| 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 |
| thiolactomycin | [no description available] | medium | 1 | 0 | | |
| 2,4-diaminohypoxanthine | [no description available] | medium | 1 | 0 | hydroxypyrimidine | |
| quazinone | [no description available] | medium | 1 | 0 | | |
| 8-bromocyclic gmp, sodium salt | [no description available] | medium | 2 | 0 | organic sodium salt | muscle relaxant;
protein kinase G agonist |
| ag-879 | [no description available] | medium | 2 | 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 |
| st 1535 | [no description available] | medium | 1 | 0 | | |
| isoproterenol | [no description available] | medium | 13 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| L-isoprenaline | [no description available] | medium | 1 | 0 | catecholamine;
phenylethanolamines | beta-adrenergic agonist;
sympathomimetic agent |
| cgp 52411 | [no description available] | medium | 1 | 0 | phthalimides | geroprotector;
tyrosine kinase inhibitor |
| aa 861 | [no description available] | medium | 2 | 0 | 1,4-benzoquinones;
acetylenic compound;
primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor |
| bu 224 | [no description available] | medium | 1 | 0 | quinolines | |
| 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 |
| ml 9 | [no description available] | medium | 1 | 0 | naphthalenes;
sulfonic acid derivative | |
| pd 169316 | [no description available] | medium | 1 | 0 | imidazoles | |
| 2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug |
| salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
| 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 |
| eliprodil | [no description available] | medium | 1 | 0 | monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound | |
| sertraline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant;
serotonin uptake inhibitor |
| opipramol hydrochloride | [no description available] | medium | 1 | 0 | | |
| 1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole | [no description available] | medium | 1 | 0 | ether;
imidazoles;
monomethoxybenzene | TRP channel blocker |
| u 78517f | [no description available] | medium | 1 | 0 | | |
| mk 912 | [no description available] | medium | 1 | 0 | | |
| sk&f 86466 | [no description available] | medium | 1 | 0 | benzazepine | |
| w 7 | [no description available] | medium | 1 | 0 | | |
| 4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine | [no description available] | medium | 1 | 0 | | |
| dizocilpine | [no description available] | medium | 1 | 0 | secondary amino compound;
tetracyclic antidepressant | anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist |
| 6-bromoindirubin-3'-oxime | [no description available] | medium | 1 | 0 | | |
| h 89 | [no description available] | medium | 3 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
| phenylthiazolylthiourea | [no description available] | medium | 1 | 0 | | |
| (2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) | [no description available] | medium | 1 | 0 | benzimidazoles | |
| tg 003 | [no description available] | medium | 1 | 0 | | |
| 3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound;
sulfonamide;
toluenes | bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector |
| quinine | [no description available] | medium | 1 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
| l 663536 | [no description available] | medium | 1 | 0 | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist |
| su 9516 | [no description available] | medium | 1 | 0 | | |
| ml 10302 | [no description available] | medium | 1 | 0 | | |
| ag 538 | [no description available] | medium | 1 | 0 | | |
| bw b70c | [no description available] | medium | 1 | 0 | aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| mg 624 | [no description available] | medium | 1 | 0 | | |
| 5-(4-phenylbutoxy)psoralen | [no description available] | medium | 1 | 0 | aromatic ether;
benzenes;
psoralens | geroprotector;
immunosuppressive agent;
potassium channel blocker |
| bisoprolol, fumarate (1:1) salt | [no description available] | medium | 1 | 0 | | |
| 8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride | [no description available] | medium | 1 | 0 | | |
| ro 8-4304 | [no description available] | medium | 1 | 0 | | |
| sb 203186 | [no description available] | medium | 1 | 0 | | |
| 2-hydroxyapomorphine, (r)-isomer | [no description available] | medium | 1 | 0 | | |
| N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide | [no description available] | medium | 1 | 0 | hydrobromide | dopamine agonist;
prodrug |
| fk 838 | [no description available] | medium | 1 | 0 | | |
| adenosine monophosphate | [no description available] | medium | 7 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
| fasudil | [no description available] | medium | 1 | 0 | isoquinolines;
N-sulfonyldiazepane | antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent |
| ripasudil | [no description available] | medium | 1 | 0 | isoquinolines | |
| mrs 1097 | [no description available] | medium | 1 | 0 | | |
| ino-8875 | [no description available] | medium | 1 | 0 | | |
| atl 313 | [no description available] | medium | 2 | 0 | | |
| olmesartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent |
| 4-(1h-imidazol-4-ylmethyl)piperidine | [no description available] | medium | 1 | 0 | piperidines | |
| nalorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| morphine | [no description available] | medium | 13 | 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 |
| 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 | |
| 9-xylosyladenine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| 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 |
| malic acid | [no description available] | medium | 1 | 0 | 2-hydroxydicarboxylic acid;
C4-dicarboxylic acid | food acidity regulator;
fundamental metabolite |
| histamine | [no description available] | medium | 8 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
| naringenin | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones;
trihydroxyflavanone | |
| niacinamide | [no description available] | medium | 2 | 0 | 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 |
| niacin | [no description available] | medium | 1 | 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 |
| pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent;
drug metabolite |
| 1,10-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| ro 5-4864 | [no description available] | medium | 1 | 0 | | |
| 5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
| etofylline | [no description available] | medium | 1 | 0 | oxopurine | |
| acetarsol | [no description available] | medium | 1 | 0 | acetamides;
anilide | |
| anisindione | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone | anticoagulant;
vitamin K antagonist |
| astemizole | [no description available] | medium | 1 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
| bendroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls;
imidazoles | |
| bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
| bufexamac | [no description available] | medium | 1 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| butacaine | [no description available] | medium | 1 | 0 | benzoate ester | |
| butamben | [no description available] | medium | 1 | 0 | amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline | local anaesthetic |
| chlorthalidone | [no description available] | medium | 1 | 0 | isoindoles;
monochlorobenzenes;
sulfonamide | |
| 4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| dapsone | [no description available] | medium | 1 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
| dibucaine | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic |
| dichlorophen | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
diarylmethane | |
| diflunisal | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| dipropizine | [no description available] | medium | 1 | 0 | piperazines | |
| dyphylline | [no description available] | medium | 1 | 0 | oxopurine;
propane-1,2-diols | bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent |
| epirizole | [no description available] | medium | 1 | 0 | aromatic ether | |
| ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic |
| myambutol | [no description available] | medium | 1 | 0 | amino alcohol | |
| ethoxzolamide | [no description available] | medium | 1 | 0 | aromatic ether;
benzothiazoles;
sulfonamide | antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| 4-biphenylylacetic acid | [no description available] | medium | 1 | 0 | biphenyls;
monocarboxylic acid | non-steroidal anti-inflammatory drug |
| fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid;
biphenyls | non-steroidal anti-inflammatory drug |
| flucytosine | [no description available] | medium | 1 | 0 | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug |
| 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 |
| flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic | |
| 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 |
| gemfibrozil | [no description available] | medium | 1 | 0 | aromatic ether | antilipemic drug |
| fluorometholone | [no description available] | medium | 1 | 0 | | |
| 1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 1 | 0 | isoquinolines;
N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
| harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
| hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| hexamethylene bisacetamide | [no description available] | medium | 1 | 0 | acetamides | |
| hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
thiazide | antihypertensive agent;
diuretic |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| amrinone | [no description available] | medium | 1 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indapamide | [no description available] | medium | 1 | 0 | indoles;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic |
| indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam;
isoindoles;
monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether;
isoflavones | bone density conservation agent |
| isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
| khellin | [no description available] | medium | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| ly 171883 | [no description available] | medium | 1 | 0 | acetophenones;
aromatic ether;
phenols;
tetrazoles | anti-asthmatic drug;
leukotriene antagonist |
| edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant;
radical scavenger |
| mefenamic acid | [no description available] | medium | 1 | 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 |
| 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 |
| methazolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thiadiazoles | |
| methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| 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 |
| moclobemide | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
morpholines | antidepressant;
environmental contaminant;
xenobiotic |
| acecainide | [no description available] | medium | 1 | 0 | acetamides;
benzamides | anti-arrhythmia drug |
| nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene;
methyl ketone | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic |
| cm 7116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
| omeprazole | [no description available] | medium | 2 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| phenindione | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone | anticoagulant |
| phenolphthalein | [no description available] | medium | 1 | 0 | phenols | |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| pipemidic acid | [no description available] | medium | 1 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| probenecid | [no description available] | medium | 2 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| probucol | [no description available] | medium | 1 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| 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 |
| proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
| pyrimethamine | [no description available] | medium | 1 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| ronidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
carbamate ester;
imidazoles | antiparasitic agent;
antiprotozoal drug |
| salicylamide | [no description available] | medium | 1 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
| spiperone | [no description available] | medium | 1 | 0 | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist |
| aldactazide | [no description available] | medium | 1 | 0 | steroid lactone | |
| streptonigrin | [no description available] | medium | 1 | 0 | pyridines;
quinolone | antimicrobial agent;
antineoplastic agent |
| sulfabenzamide | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antimicrobial drug |
| sulfacetamide | [no description available] | medium | 1 | 0 | N-sulfonylcarboxamide;
substituted aniline | antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfadimethoxine | [no description available] | medium | 1 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen |
| sulfamethazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
| 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 |
| 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 |
| sulfamethoxypyridazine | [no description available] | medium | 1 | 0 | pyridazines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| tegafur | [no description available] | medium | 1 | 0 | organohalogen compound;
pyrimidines | |
| terazosin | [no description available] | medium | 1 | 0 | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| thiabendazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug |
| tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
| trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
| trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide antibiotic | antihypertensive agent;
diuretic |
| tyramine | [no description available] | medium | 2 | 0 | monoamine molecular messenger;
primary amino compound;
tyramines | EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter |
| vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
| xylazine | [no description available] | medium | 2 | 0 | 1,3-thiazine;
methylbenzene;
secondary amino compound | alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative |
| zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine;
pyrrolopyrazine | central nervous system depressant;
sedative |
| hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester;
tertiary alpha-hydroxy ketone | |
| oxyphenonium bromide | [no description available] | medium | 1 | 0 | | |
| phentolamine | [no description available] | medium | 2 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| floxuridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent |
| neostigmine methylsulfate | [no description available] | medium | 1 | 0 | arylammonium sulfate salt | EC 3.1.1.8 (cholinesterase) inhibitor |
| prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| trichlorfon | [no description available] | medium | 1 | 0 | organic phosphonate;
organochlorine compound;
phosphonic ester | agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
| azauridine | [no description available] | medium | 1 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite;
antineoplastic agent;
drug metabolite |
| desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| benzyltrimethylammonium chloride | [no description available] | medium | 1 | 0 | | |
| ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
| tolazoline hydrochloride | [no description available] | medium | 1 | 0 | benzenes | |
| acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| fluocinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
| ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
| 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 |
| 4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
| 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 |
| isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
| mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid | gastrointestinal drug |
| methylprednisolone | [no description available] | medium | 1 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| 9,10-phenanthrenequinone | [no description available] | medium | 1 | 0 | phenanthrenes | |
| phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| mecoprop | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | |
| 2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
synthetic auxin |
| arsanilic acid | [no description available] | medium | 1 | 0 | organoarsonic acid | |
| 3-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
| thiodipropionic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
| maltol | [no description available] | medium | 1 | 0 | 4-pyranones | metabolite |
| cinchophen | [no description available] | medium | 1 | 0 | quinolines | |
| phenazopyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
| 20-alpha-dihydroprogesterone | [no description available] | medium | 1 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite;
mouse metabolite |
| quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| fluocinonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
| fluorometholone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
| glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid | immunomodulator;
plant metabolite |
| medroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | contraceptive drug;
progestin;
synthetic oral contraceptive |
| 1,2-naphthoquinone | [no description available] | medium | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| 4,4'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridine | |
| monoacetyldapsone | [no description available] | medium | 1 | 0 | acetamides;
anilide;
secondary carboxamide;
sulfone | |
| chlorotrianisene | [no description available] | medium | 1 | 0 | chloroalkene | antineoplastic agent;
estrogen receptor modulator;
xenoestrogen |
| aminacrine | [no description available] | medium | 1 | 0 | | |
| isoxsuprine hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
| 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 |
| 2-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides;
phenols | anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite |
| clopamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| phosmet | [no description available] | medium | 1 | 0 | organic thiophosphate;
organothiophosphate insecticide;
phthalimides | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| 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 |
| malononitrile dimer | [no description available] | medium | 1 | 0 | | |
| diphenyl disulfide | [no description available] | medium | 1 | 0 | benzenes | |
| estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
| tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid;
pyrazines | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| 2,2'-dipyridylamine | [no description available] | medium | 1 | 0 | | |
| pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
| flurandrenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| diethylcarbamazine citrate | [no description available] | medium | 1 | 0 | piperazinecarboxamide | |
| azacyclonol | [no description available] | medium | 1 | 0 | diarylmethane | |
| guaiacoxyacetic acid | [no description available] | medium | 1 | 0 | | |
| methylene diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | bone density conservation agent;
chelator |
| amiloride hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | diuretic;
sodium channel blocker |
| flumethasone | [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-inflammatory drug |
| azaribine | [no description available] | medium | 1 | 0 | acetate ester;
N-glycosyl-1,2,4-triazine | antipsoriatic;
prodrug |
| hydrocortisone hemisuccinate | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone | |
| mebeverine hydrochloride | [no description available] | medium | 1 | 0 | | |
| stavudine | [no description available] | medium | 1 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| clidinium bromide | [no description available] | medium | 1 | 0 | | |
| diloxanide furoate | [no description available] | medium | 1 | 0 | carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide | antiamoebic agent;
prodrug |
| nitroxoline | [no description available] | medium | 1 | 0 | C-nitro compound;
monohydroxyquinoline | antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent |
| cladribine | [no description available] | medium | 1 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
| alverine citrate | [no description available] | medium | 1 | 0 | citrate salt;
organoammonium salt | antispasmodic drug;
cholinergic antagonist |
| cyclogyl | [no description available] | medium | 1 | 0 | | |
| 6-nitroindazole | [no description available] | medium | 1 | 0 | | |
| hydrocortisone-17-butyrate | [no description available] | medium | 1 | 0 | butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone | dermatologic drug;
drug allergen |
| pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
| eedq | [no description available] | medium | 1 | 0 | | |
| ornidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol | antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope |
| tetridamin | [no description available] | medium | 1 | 0 | | |
| capobenic acid | [no description available] | medium | 1 | 0 | benzamides | |
| thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
| clobetasol propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug |
| frentizole | [no description available] | medium | 1 | 0 | | |
| eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
| oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone;
dibenzoazepine | anticonvulsant;
drug allergen |
| moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| proroxan hydrochloride | [no description available] | medium | 1 | 0 | | |
| etomidate | [no description available] | medium | 1 | 0 | imidazoles | |
| 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 | | |
| picobenzide | [no description available] | medium | 1 | 0 | | |
| triadimenol | [no description available] | medium | 1 | 0 | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite |
| cerm-1978 | [no description available] | medium | 1 | 0 | hydrochloride | |
| dazoxiben hydrochloride | [no description available] | medium | 1 | 0 | | |
| lovastatin | [no description available] | medium | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| tobramycin sulfate | [no description available] | medium | 1 | 0 | | |
| benzylaminopurine | [no description available] | medium | 1 | 0 | 6-aminopurines | cytokinin;
plant metabolite |
| norharman | [no description available] | medium | 1 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
| ticlopidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt | |
| acetylcholine bromide | [no description available] | medium | 1 | 0 | bromide salt;
quaternary ammonium salt | |
| aloxistatin | [no description available] | medium | 1 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
| tryptamide | [no description available] | medium | 1 | 0 | | |
| oxyphencyclimine hydrochloride | [no description available] | medium | 1 | 0 | pyrimidines | |
| diphenylpyraline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | cholinergic antagonist;
H1-receptor antagonist |
| mepivacaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
piperidinecarboxamide | local anaesthetic |
| diphenidol hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
| edoxudin | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | |
| 6-ketoestradiol | [no description available] | medium | 1 | 0 | | |
| 17 beta-estradiol hemisuccinate | [no description available] | medium | 1 | 0 | | |
| amizyl | [no description available] | medium | 1 | 0 | | |
| salicylhydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid;
phenols | antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug |
| 1,7-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | |
| 3-fluoro-4-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | | |
| dyclonine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | topical anaesthetic |
| miconazole nitrate | [no description available] | medium | 1 | 0 | | |
| econazole nitrate | [no description available] | medium | 1 | 0 | | |
| 2,4-dimethoxybenzaldehyde | [no description available] | medium | 1 | 0 | | |
| enrofloxacin | [no description available] | medium | 1 | 0 | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent |
| clobetasone butyrate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| diflorasone diacetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug;
antipruritic drug |
| hydroxyzine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| secnidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
secondary alcohol | epitope |
| ergocornine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
| pramoxine hydrochloride | [no description available] | medium | 1 | 0 | aromatic ether | |
| butyrylcholine chloride | [no description available] | medium | 1 | 0 | | |
| 1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
| chloropyramine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 6-aminoindazole | [no description available] | medium | 1 | 0 | indazoles | |
| 5-aminoindazole | [no description available] | medium | 1 | 0 | | |
| 2-methylhippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | metabolite |
| meclizine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 11-hydroxyprogesterone, (11alpha)-isomer | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid | |
| malic acid, (r)-isomer | [no description available] | medium | 1 | 0 | malic acid | |
| 21-deoxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone | human blood serum metabolite;
mouse metabolite |
| estrone 3-methyl ether | [no description available] | medium | 1 | 0 | | |
| e-250 | [no description available] | medium | 1 | 0 | | |
| rac-glycerol 1-monodecanoate | [no description available] | medium | 1 | 0 | rac-1-monoacylglycerol | |
| nipecotic acid amide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
| levcromakalim | [no description available] | medium | 1 | 0 | 1-benzopyran | |
| tachistin | [no description available] | medium | 1 | 0 | | |
| cortisol octanoate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| armepavine | [no description available] | medium | 1 | 0 | | |
| bicuculline methiodide | [no description available] | medium | 2 | 0 | | |
| beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
| tryptoline | [no description available] | medium | 1 | 0 | beta-carbolines | |
| gamma-fagarine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| Zearalanone | [no description available] | medium | 1 | 0 | macrolide;
resorcinols | |
| butethamate citrate | [no description available] | medium | 1 | 0 | | |
| 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol | [no description available] | medium | 1 | 0 | piperidines | |
| 1,3-dimethylbenzimidazoline-2-thione | [no description available] | medium | 1 | 0 | | |
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
| desloratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine | anti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist |
| dichloro-1,2-diaminocyclohexane platinum complex | [no description available] | medium | 1 | 0 | | |
| 1,4-di(2'-thienyl)-1,4-butadione | [no description available] | medium | 1 | 0 | | |
| methyl 5-aminolevulinate hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug |
| antazoline phosphate | [no description available] | medium | 1 | 0 | | |
| pridinol mesylate | [no description available] | medium | 1 | 0 | | |
| 17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| atropine | [no description available] | medium | 4 | 0 | | |
| 5-fluorotryptamine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| piribedil mesylate | [no description available] | medium | 1 | 0 | | |
| serc | [no description available] | medium | 1 | 0 | | |
| procyclidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| (7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one | [no description available] | medium | 1 | 0 | macrolide | |
| equilin | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid | |
| adrenosterone | [no description available] | medium | 1 | 0 | 11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite |
| gossypol acetic acid | [no description available] | medium | 1 | 0 | | |
| epinastine | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
| 4',6-dihydroxy-5,7-dimethoxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone;
dimethoxyflavone | |
| 2-hydroxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
2-hydroxy steroid | carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug |
| medrysone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| artisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| chondocurine (1beta)-(+-)-isomer | [no description available] | medium | 1 | 0 | aromatic ether | |
| 4-methoxyxanthone | [no description available] | medium | 1 | 0 | | |
| 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide | [no description available] | medium | 1 | 0 | amine | |
| mandelic acid, (s)-isomer | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid;
mandelic acid | |
| acebutolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent |
| difluprednate | [no description available] | medium | 1 | 0 | butyrate ester;
corticosteroid hormone | |
| dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
| amcinonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal | anti-inflammatory drug |
| flumethasone pivalate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| histidyl-proline diketopiperazine | [no description available] | medium | 1 | 0 | dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine | anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite |
| afimoxifene | [no description available] | medium | 1 | 0 | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite |
| ketoconazole | [no description available] | medium | 1 | 0 | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
| aphidicolin | [no description available] | medium | 1 | 0 | tetracyclic diterpenoid | antimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite |
| 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 |
| maltitol | [no description available] | medium | 1 | 0 | alpha-D-glucoside;
glycosyl alditol | laxative;
metabolite;
sweetening agent |
| chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| thermospine | [no description available] | medium | 1 | 0 | | |
| dibenzylidene acetone | [no description available] | medium | 1 | 0 | | |
| 4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone | [no description available] | medium | 1 | 0 | cycloheptafuran | |
| 5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester;
benzofurans | |
| 5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| haplamine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
| diethylstilbestrol dipropionate | [no description available] | medium | 1 | 0 | | |
| (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines;
sn-glycerol 3-phosphates | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite |
| n-methylscopolamine nitrate | [no description available] | medium | 1 | 0 | | |
| propylthiouracil | [no description available] | medium | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist |
| nsc 4347 | [no description available] | medium | 1 | 0 | | |
| 4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide | [no description available] | medium | 1 | 0 | benzamides | |
| physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt;
salicylates | |
| 1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
| 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one | [no description available] | medium | 1 | 0 | benzoxazine | |
| dienestrol | [no description available] | medium | 1 | 0 | | |
| methylthiouracil | [no description available] | medium | 1 | 0 | pyrimidone | |
| 4-methoxy-N-(3-pyridinylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| 5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester | [no description available] | medium | 1 | 0 | coumarins | |
| 2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide | [no description available] | medium | 1 | 0 | phthalimides | |
| 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
| 3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | oxadiazole;
ring assembly | |
| 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid | [no description available] | medium | 1 | 0 | psoralens | |
| 1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | [no description available] | medium | 1 | 0 | pyrimidotriazine | |
| thiothixene | [no description available] | medium | 1 | 0 | N-methylpiperazine | anticoronaviral agent |
| 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 |
| 9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one | [no description available] | medium | 1 | 0 | pyridochromene | |
| 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester | [no description available] | medium | 1 | 0 | chromones | |
| 5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| 4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| [2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone | [no description available] | medium | 1 | 0 | quinolines | |
| 5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide;
furans | |
| 2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | quinolines | |
| N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
| 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
| 1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea | [no description available] | medium | 1 | 0 | benzothiazoles | |
| N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| 2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | [no description available] | medium | 1 | 0 | flavones;
tert-butyl ester | |
| ethylenethiourea | [no description available] | medium | 1 | 0 | imidazolidines | |
| p-aminosalicylic acid monosodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
| digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| mecysteine hydrochloride | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
| ethionamide | [no description available] | medium | 1 | 0 | pyridines;
thiocarboxamide | antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug |
| 2-(2-furanyl)-4-thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| dihydrosamidine | [no description available] | medium | 1 | 0 | | |
| N-(2-methoxycyclohexyl)-3,4-dimethylaniline | [no description available] | medium | 1 | 0 | methylbenzene | |
| 2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione | [no description available] | medium | 1 | 0 | methylbenzene | |
| 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester | [no description available] | medium | 1 | 0 | isopropyl ester;
piperazines | |
| zeranol | [no description available] | medium | 1 | 0 | macrolide | |
| monooctanoin | [no description available] | medium | 1 | 0 | 1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol | |
| trimethoprim | [no description available] | medium | 1 | 0 | | |
| 4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid | [no description available] | medium | 1 | 0 | peptide | |
| N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| 3-acetyl-6-methyl-1H-quinolin-4-one | [no description available] | medium | 1 | 0 | quinolines | |
| 3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone | [no description available] | medium | 1 | 0 | aryl sulfide | |
| N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide | [no description available] | medium | 1 | 0 | imidazolidines | |
| Anthraniloyllycoctonine | [no description available] | medium | 1 | 0 | diterpene alkaloid | |
| N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
| 1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid | [no description available] | medium | 1 | 0 | harmala alkaloid | |
| biochanin a | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| prostaglandin b1 | [no description available] | medium | 1 | 0 | prostaglandins B | human metabolite |
| prostaglandin f1 | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite |
| zearalenone | [no description available] | medium | 1 | 0 | macrolide;
resorcinols | fungal metabolite;
mycoestrogen |
| estriol 17-glucuronide | [no description available] | medium | 1 | 0 | steroid saponin | |
| 4-hydroxyestradiol | [no description available] | medium | 1 | 0 | 4-hydroxy steroid | metabolite |
| menatetrenone | [no description available] | medium | 1 | 0 | menaquinone | anti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent |
| dinoprost tromethamine | [no description available] | medium | 1 | 0 | organic molecular entity | |
| hydrocortisone valerate | [no description available] | medium | 1 | 0 | cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester | |
| prostaglandin f2 methyl ester | [no description available] | medium | 1 | 0 | prostanoid | |
| 2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | | |
| perhexiline maleate | [no description available] | medium | 1 | 0 | | |
| ethisterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | drug metabolite;
progestin |
| nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| 6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 1 | 0 | 6alpha-hydroxy steroid | |
| desoximetasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| cytochalasin b | [no description available] | medium | 2 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| u-44619 | [no description available] | medium | 1 | 0 | | |
| furazolidone | [no description available] | medium | 1 | 0 | | |
| nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
| rg 13022 | [no description available] | medium | 1 | 0 | | |
| styrylquinoline | [no description available] | medium | 1 | 0 | 2-styrylquinoline | |
| kavain | [no description available] | medium | 1 | 0 | racemate | glycine receptor antagonist |
| enalapril maleate | [no description available] | medium | 1 | 0 | maleate salt | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| trimebutine maleate salt | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
| vincristine sulfate | [no description available] | medium | 1 | 0 | | |
| 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | isoflavones | |
| (2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid | [no description available] | medium | 1 | 0 | peptide | |
| phentolamine | [no description available] | medium | 1 | 0 | | |
| fendiline hydrochloride | [no description available] | medium | 1 | 0 | | |
| nab-365 | [no description available] | medium | 1 | 0 | hydrochloride | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| dithiazanine iodide | [no description available] | medium | 1 | 0 | benzothiazoles;
organic iodide salt | anthelminthic drug;
fluorochrome |
| sinequan | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
| buflomedil hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
| dirithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | prodrug |
| fluphenazine | [no description available] | medium | 1 | 0 | | |
| homochlorocyclizine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| butoxamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
| emetine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 6 beta-hydroxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mammalian metabolite;
probe |
| androst-16-en-3-one | [no description available] | medium | 1 | 0 | 3-oxo steroid;
androstanoid | mammalian metabolite;
pheromone |
| dihydroouabain | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent |
| LSM-6455 | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | |
| estradiol 17-acetate | [no description available] | medium | 1 | 0 | steroid ester | |
| (3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione | [no description available] | medium | 1 | 0 | pyrrolidines | |
| N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine | [no description available] | medium | 1 | 0 | pyrazoles;
ring assembly | |
| bucladesine | [no description available] | medium | 3 | 0 | 3',5'-cyclic purine nucleotide | |
| ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| penicillin g potassium | [no description available] | medium | 1 | 0 | organic potassium salt | |
| piperacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cefoxitin sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
| nafcillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug |
| sodium diatrizoate | [no description available] | medium | 1 | 0 | organic sodium salt;
organoiodine compound | radioopaque medium |
| estrone sulfate, potassium salt | [no description available] | medium | 1 | 0 | | |
| naproxen sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
| 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 | 1 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| 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 |
| inosine | [no description available] | medium | 3 | 0 | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| kf38789 | [no description available] | medium | 1 | 0 | | |
| pralidoxime iodide | [no description available] | medium | 1 | 0 | organic iodide salt;
pyridinium salt | cholinergic drug;
cholinesterase reactivator |
| pralidoxime chloride | [no description available] | medium | 1 | 0 | organic chloride salt;
pyridinium salt | cholinergic drug;
cholinesterase reactivator |
| adenosine-5'-carboxylic acid | [no description available] | medium | 1 | 0 | purine nucleoside | |
| hispidol | [no description available] | medium | 1 | 0 | hydroxyaurone | plant metabolite |
| tozadenant | [no description available] | medium | 1 | 0 | benzothiazoles | |
| psb 36 | [no description available] | medium | 1 | 0 | oxopurine | |
| psb 11 | [no description available] | medium | 1 | 0 | | |
| bentranil | [no description available] | medium | 1 | 0 | benzoxazine | herbicide |
| 2-styrylquinazolin-4(3h)-one | [no description available] | medium | 1 | 0 | | |
| 2-(4-methoxyphenyl)-1H-quinazolin-4-one | [no description available] | medium | 1 | 0 | quinazolines | |
| soman | [no description available] | medium | 3 | 0 | phosphonic ester | |
| sarin | [no description available] | medium | 4 | 0 | fluorine molecular entity;
phosphinic ester | |
| 3,4-dihydroxyphenylglycol | [no description available] | medium | 2 | 0 | catechols;
tetrol | metabolite;
mouse metabolite |
| methoxyhydroxyphenylglycol | [no description available] | medium | 2 | 0 | methoxybenzenes;
phenols | |
| alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 3 | 0 | non-proteinogenic alpha-amino acid | |
| 6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 2 | 0 | quinoxaline derivative | |
| cocaine | [no description available] | medium | 4 | 0 | benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid | adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| sk&f 81297 | [no description available] | medium | 1 | 0 | benzazepine | |
| 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 |
| 3-mercaptopropionic acid | [no description available] | medium | 5 | 0 | mercaptopropanoic acid | algal metabolite |
| propidium | [no description available] | medium | 1 | 0 | phenanthridines;
quaternary ammonium ion | fluorochrome;
intercalator |
| thioinosine | [no description available] | medium | 8 | 0 | | |
| abt 702 | [no description available] | medium | 1 | 0 | bipyridines | |
| quinpirole | [no description available] | medium | 4 | 0 | pyrazoloquinoline | dopamine agonist |
| cyclic gmp | [no description available] | medium | 3 | 0 | 3',5'-cyclic purine nucleotide;
guanyl ribonucleotide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| methamphetamine | [no description available] | medium | 5 | 0 | amphetamines;
secondary amine | central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic |
| cl 316243 | [no description available] | medium | 1 | 0 | | |
| brl 37344 | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
| angiotensin ii | [no description available] | medium | 6 | 0 | amino acid zwitterion;
angiotensin II | human metabolite |
| phenylephrine | [no description available] | medium | 8 | 0 | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent |
| enkephalin, ala(2)-mephe(4)-gly(5)- | [no description available] | medium | 3 | 0 | | |
| swertisin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone;
monosaccharide derivative;
polyphenol | adenosine A1 receptor antagonist;
anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite |
| scopolamine hydrobromide | [no description available] | medium | 4 | 0 | | |
| hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
| 1,3,7-trimethylurate | [no description available] | medium | 1 | 0 | oxopurine | human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite |
| uric acid | [no description available] | medium | 1 | 0 | uric acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| protocatechuic acid | [no description available] | medium | 1 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| selegiline | [no description available] | medium | 1 | 0 | selegiline;
terminal acetylenic compound | geroprotector |
| benserazide | [no description available] | medium | 1 | 0 | carbohydrazide;
catechols;
primary alcohol;
primary amino compound | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| triazoles | [no description available] | medium | 29 | 0 | 1,2,3-triazole | |
| sr 95531 | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid;
organic heteroheptacyclic compound | avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide |
| lactic acid | [no description available] | medium | 3 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
| mrs 1191 | [no description available] | medium | 2 | 0 | cinnamate ester | |
| dihydropyridines | [no description available] | medium | 2 | 0 | | |
| alpha-aminopyridine | [no description available] | medium | 1 | 0 | | |
| luf 5834 | [no description available] | medium | 1 | 0 | | |
| quinidine | [no description available] | medium | 1 | 0 | cinchona alkaloid | alpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker |
| naloxone | [no description available] | medium | 9 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| alpha,beta-methyleneadenosine 5'-triphosphate | [no description available] | medium | 4 | 0 | nucleoside triphosphate analogue | |
| 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 |
| binaltorphimine | [no description available] | medium | 1 | 0 | | |
| arginine vasopressin | [no description available] | medium | 3 | 0 | vasopressin | cardiovascular drug;
hematologic agent;
mitogen |
| losartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| pituitrin | [no description available] | medium | 1 | 0 | | |
| vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(o- methyl-l-tyrosine)-8-l-arginine- | [no description available] | medium | 1 | 0 | | |
| potassium chloride | [no description available] | medium | 6 | 0 | inorganic chloride;
inorganic potassium salt;
potassium salt | fertilizer |
| pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid;
azobenzenes;
methylpyridines;
monohydroxypyridine;
organic phosphate;
pyridinecarbaldehyde | purinergic receptor P2X antagonist |
| pyridoxal phosphate | [no description available] | medium | 1 | 0 | methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate | coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| diinosine pentaphosphate | [no description available] | medium | 1 | 0 | | |
| piperidines | [no description available] | medium | 5 | 0 | | |
| mocetinostat | [no description available] | medium | 3 | 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 |
| sch 23390 | [no description available] | medium | 1 | 0 | benzazepine | |
| s-(4-nitrophenacyl)glutathione | [no description available] | medium | 1 | 0 | | |
| capsaicin | [no description available] | medium | 4 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| zolmitriptan | [no description available] | medium | 1 | 0 | oxazolidinone;
tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester;
oxazolidinone | metabolite |
| biguanides | [no description available] | medium | 1 | 0 | guanidines | |
| tetracycline | [no description available] | medium | 1 | 0 | | |
| muscimol | [no description available] | medium | 1 | 0 | alkaloid;
isoxazoles;
primary amino compound | fungal metabolite;
GABA agonist;
oneirogen;
psychotropic drug |
| cgp 55845a | [no description available] | medium | 1 | 0 | | |
| adenosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 7 | 0 | nucleoside triphosphate analogue | |
| guanosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 10 | 0 | nucleoside triphosphate analogue | |
| myelin basic protein | [no description available] | medium | 1 | 0 | | |
| cardiovascular agents | [no description available] | medium | 3 | 0 | | |
| okadaic acid | [no description available] | medium | 1 | 0 | ketal | |
| p-methoxy-n-methylphenethylamine | [no description available] | medium | 3 | 0 | aromatic ether;
secondary amino compound | metabolite |
| diphenhydramine | [no description available] | medium | 1 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
| eucalyptol | [no description available] | medium | 1 | 0 | | |
| cyproheptadine | [no description available] | medium | 1 | 0 | piperidines;
tertiary amine | anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist |
| cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols;
secondary alcohol | solvent |
| tabun | [no description available] | medium | 1 | 0 | | |
| vx | [no description available] | medium | 1 | 0 | organic thiophosphate;
tertiary amino compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin |
| parathion | [no description available] | medium | 1 | 0 | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite |
| n-(1-methyl-2-phenylethyl)adenosine | [no description available] | medium | 9 | 0 | | |
| formaldehyde | [no description available] | medium | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| tetrodotoxin | [no description available] | medium | 7 | 0 | azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid | animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker |
| ro 31-8220 | [no description available] | medium | 2 | 0 | imidothiocarbamic ester;
indoles;
maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| y 27632 | [no description available] | medium | 1 | 0 | aromatic amide | |
| oxadiazoles | [no description available] | medium | 2 | 0 | | |
| quinoxalines | [no description available] | medium | 6 | 0 | mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene | |
| irl 1620 | [no description available] | medium | 1 | 0 | | |
| amphetamine | [no description available] | medium | 1 | 0 | primary amine | |
| adenosine diphosphate | [no description available] | medium | 3 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | fundamental metabolite;
human metabolite |
| adenine | [no description available] | medium | 7 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| glutamic acid | [no description available] | medium | 11 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| epidepride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| adp beta s | [no description available] | medium | 2 | 0 | | |
| 1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 2 | 0 | | |
| 8-chloroadenosine-3',5'-cyclic monophosphorothioate | [no description available] | medium | 1 | 0 | | |
| enkephalin, leucine | [no description available] | medium | 5 | 0 | pentapeptide;
peptide zwitterion | analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite |
| tyloxapol | [no description available] | medium | 1 | 0 | | |
| we 201 | [no description available] | medium | 1 | 0 | | |
| lysophosphatidylcholines | [no description available] | medium | 1 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
| diazepam | [no description available] | medium | 5 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
| nickel | [no description available] | medium | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
| prostaglandin d2 | [no description available] | medium | 1 | 0 | prostaglandins D | human metabolite;
mouse metabolite |
| ng-nitroarginine methyl ester | [no description available] | medium | 7 | 0 | alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| beta-alanine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
beta-amino acid | agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter |
| isoflurophate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
| 9-(2-hydroxy-3-nonyl)adenine | [no description available] | medium | 2 | 0 | | |
| gastrins | [no description available] | medium | 1 | 0 | | |
| stilbenes | [no description available] | medium | 1 | 0 | stilbene | |
| barium | [no description available] | medium | 1 | 0 | alkaline earth metal atom;
elemental barium | |
| isatin | [no description available] | medium | 1 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| atrial natriuretic factor | [no description available] | medium | 2 | 0 | polypeptide | |
| kt 5823 | [no description available] | medium | 1 | 0 | gamma-lactam;
hemiaminal;
indolocarbazole;
methyl ester;
organic heterooctacyclic compound | EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor |
| 6-anilino-5,8-quinolinedione | [no description available] | medium | 1 | 0 | aminoquinoline;
aromatic amine;
p-quinones;
quinolone | antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor |
| verapamil | [no description available] | medium | 2 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
| pd 81723 | [no description available] | medium | 9 | 0 | | |
| thiophenes | [no description available] | medium | 9 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| omega-agatoxin iva | [no description available] | medium | 1 | 0 | | |
| 8-bromo cyclic adenosine monophosphate | [no description available] | medium | 7 | 0 | 3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound | antidepressant;
protein kinase agonist |
| enkephalin, d-penicillamine (2,5)- | [no description available] | medium | 3 | 0 | heterodetic cyclic peptide | delta-opioid receptor agonist |
| sincalide | [no description available] | medium | 2 | 0 | oligopeptide | |
| pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
| guanosine triphosphate | [no description available] | medium | 5 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor |
| vecuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt;
quaternary ammonium salt | muscle relaxant;
neuromuscular agent;
nicotinic antagonist |
| 5-hydroxydecanoate | [no description available] | medium | 1 | 0 | medium-chain fatty acid | |
| dichlorvos | [no description available] | medium | 1 | 0 | alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide | anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| sch-202676 | [no description available] | medium | 1 | 0 | | |
| thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| temazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
| cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| prazosin | [no description available] | medium | 1 | 0 | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| preproenkephalin | [no description available] | medium | 1 | 0 | | |
| sb 203580 | [no description available] | medium | 2 | 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 |
| quinazolines | [no description available] | medium | 8 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines | |
| penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid;
penicillamine | antirheumatic drug;
chelator;
copper chelator;
drug allergen |
| s-nitro-n-acetylpenicillamine | [no description available] | medium | 1 | 0 | | |
| peoniflorin | [no description available] | medium | 2 | 0 | | |
| glucose, (beta-d)-isomer | [no description available] | medium | 2 | 0 | D-glucopyranose | epitope;
mouse metabolite |
| neostigmine | [no description available] | medium | 1 | 0 | quaternary ammonium ion | antidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| staurosporine | [no description available] | medium | 1 | 0 | ammonium ion derivative | |
| pentostatin | [no description available] | medium | 2 | 0 | coformycins | antimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor |
| thyroxine | [no description available] | medium | 1 | 0 | 2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine | antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone |
| suramin | [no description available] | medium | 3 | 0 | naphthalenesulfonic acid;
phenylureas;
secondary carboxamide | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug |
| 2-methylthio-atp | [no description available] | medium | 3 | 0 | | |
| 3-o-methylglucose | [no description available] | medium | 1 | 0 | D-aldohexose derivative | |
| vasoactive intestinal peptide | [no description available] | medium | 3 | 0 | | |
| propranolol | [no description available] | medium | 2 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| aminoimidazole carboxamide | [no description available] | medium | 1 | 0 | aminoimidazole;
monocarboxylic acid amide | mouse metabolite |
| mastoparan | [no description available] | medium | 2 | 0 | mastoparans;
peptidyl amide | antimicrobial agent |
| acadesine | [no description available] | medium | 1 | 0 | 1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue | antineoplastic agent;
platelet aggregation inhibitor |
| substance p | [no description available] | medium | 7 | 0 | peptide | neurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent |
| bradykinin | [no description available] | medium | 6 | 0 | oligopeptide | human blood serum metabolite;
vasodilator agent |
| 5'-adenylyl (beta,gamma-methylene)diphosphonate | [no description available] | medium | 2 | 0 | nucleoside triphosphate analogue | |
| guanylyl imidodiphosphate | [no description available] | medium | 5 | 0 | nucleoside triphosphate analogue | |
| methoxamine | [no description available] | medium | 1 | 0 | amphetamines | alpha-adrenergic agonist;
antihypotensive agent |
| fura-2 | [no description available] | medium | 6 | 0 | | |
| adenosine 5'-methylenediphosphate | [no description available] | medium | 2 | 0 | nucleoside diphosphate analogue | |
| yohimbine | [no description available] | medium | 6 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist |
| 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 |
| glyceraldehyde | [no description available] | medium | 1 | 0 | aldotriose | fundamental metabolite |
| dobutamine | [no description available] | medium | 1 | 0 | catecholamine;
secondary amine | beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent |
| gallopamil | [no description available] | medium | 1 | 0 | benzenes;
organic amino compound | |
| adenosine diphosphate ribose | [no description available] | medium | 1 | 0 | ADP-sugar | Escherichia coli metabolite;
mouse metabolite |
| chlorine | [no description available] | medium | 1 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
| 6-methoxy-n-(3-sulfopropyl)quinolinium | [no description available] | medium | 1 | 0 | | |
| dithiothreitol | [no description available] | medium | 1 | 0 | 1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol | chelator;
human metabolite;
reducing agent |
| pyrilamine | [no description available] | medium | 2 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
| dinoprost | [no description available] | medium | 1 | 0 | monocarboxylic acid;
prostaglandins Falpha | human metabolite;
mouse metabolite |
| dextroamphetamine | [no description available] | medium | 2 | 0 | 1-phenylpropan-2-amine | adrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent |
| sdz pco 400 | [no description available] | medium | 1 | 0 | 1-benzopyran | |
| cyclopentane | [no description available] | medium | 1 | 0 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
| arachidonic acid | [no description available] | medium | 2 | 0 | icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid | Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite |
| losartan potassium | [no description available] | medium | 1 | 0 | | |
| thromboxane a2 | [no description available] | medium | 1 | 0 | epoxy monocarboxylic acid;
thromboxanes A | mouse metabolite |
| thromboxane a2, carbocyclic | [no description available] | medium | 1 | 0 | | |
| kf 17837s | [no description available] | medium | 3 | 0 | | |
| potassium cyanide | [no description available] | medium | 1 | 0 | cyanide salt;
one-carbon compound;
potassium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin |
| cromolyn sodium | [no description available] | medium | 1 | 0 | organic sodium salt | anti-asthmatic drug;
drug allergen |
| 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 |
| guanosine 5'-o-(2-thiodiphosphate) | [no description available] | medium | 1 | 0 | nucleoside diphosphate analogue | |
| dinoprostone | [no description available] | medium | 5 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| guanosine diphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor |
| 2',5'-dideoxyadenosine | [no description available] | medium | 1 | 0 | deoxyribonucleoside | |
| glucagon | [no description available] | medium | 1 | 0 | peptide hormone | |
| uridine triphosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside 5'-triphosphate;
uridine 5'-phosphate | Escherichia coli metabolite;
mouse metabolite |
| deoxyribose | [no description available] | medium | 1 | 0 | deoxypentose | human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 2-methyl-5-ht | [no description available] | medium | 1 | 0 | tryptamines | serotonergic agonist |
| devazepide | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
indolecarboxamide | antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug |
| lorglumide | [no description available] | medium | 1 | 0 | benzamides;
dicarboxylic acid monoamide;
dichlorobenzene;
glutamic acid derivative | |
| thymidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
| iberiotoxin | [no description available] | medium | 2 | 0 | | |
| hydralazine | [no description available] | medium | 1 | 0 | azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines | antihypertensive agent;
vasodilator agent |
| sch 23982 | [no description available] | medium | 1 | 0 | | |
| 5'-amino-5'-deoxyadenosine | [no description available] | medium | 1 | 0 | | |
| methionine | [no description available] | medium | 1 | 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 |
| vitamin k semiquinone radical | [no description available] | medium | 1 | 0 | | |
| clonidine | [no description available] | medium | 2 | 0 | clonidine;
imidazoline | |
| endothelin-1 | [no description available] | medium | 2 | 0 | | |
| tetraethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
| hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
| brimonidine tartrate | [no description available] | medium | 2 | 0 | | |
| alpha-methylhistamine | [no description available] | medium | 1 | 0 | aralkylamino compound;
imidazoles | animal metabolite;
H3-receptor agonist |
| glycine | [no description available] | medium | 2 | 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 |
| cycloleucine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
| 3,5-dihydroxyphenylglycine | [no description available] | medium | 1 | 0 | alpha-amino acid | |
| 5-iodotubercidin | [no description available] | medium | 1 | 0 | organoiodine compound | |
| tubercidin | [no description available] | medium | 1 | 0 | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside | antimetabolite;
antineoplastic agent;
bacterial metabolite |
| adenosine kinase | [no description available] | medium | 1 | 0 | | |
| quipazine | [no description available] | medium | 1 | 0 | piperazines;
pyridines | |
| p(1),p(5)-di(adenosine-5'-)pentaphosphate | [no description available] | medium | 1 | 0 | organophosphate oxoanion | |
| 6-nitroquipazine | [no description available] | medium | 1 | 0 | nitro compound;
quinolines | |
| nicorandil | [no description available] | medium | 1 | 0 | nitrate ester;
pyridinecarboxamide | potassium channel opener;
vasodilator agent |
| cromakalim | [no description available] | medium | 1 | 0 | | |
| deoxyglucose | [no description available] | medium | 2 | 0 | | |
| picrotoxin | [no description available] | medium | 1 | 0 | | |
| phencyclidine | [no description available] | medium | 3 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
| inositol 1,4,5-trisphosphate | [no description available] | medium | 4 | 0 | myo-inositol trisphosphate | mouse metabolite |
| alanine | [no description available] | medium | 1 | 0 | alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite |
| threonine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| pyrazines | [no description available] | medium | 2 | 0 | diazine;
pyrazines | Daphnia magna metabolite |
| thioperamide | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
| phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
| oxotremorine m | [no description available] | medium | 1 | 0 | quaternary ammonium ion | muscarinic agonist |
| oxotremorine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine | |
| neuropeptide y | [no description available] | medium | 1 | 0 | | |
| ici 118551 | [no description available] | medium | 1 | 0 | aromatic ether;
indanes;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist |
| palmitic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite |
| idazoxan | [no description available] | medium | 1 | 0 | benzodioxine;
imidazolines | alpha-adrenergic antagonist |
| chelerythrine | [no description available] | medium | 1 | 0 | benzophenanthridine alkaloid;
organic cation | antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| deamino arginine vasopressin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | diagnostic agent;
renal agent;
vasopressin receptor agonist |
| leptin | [no description available] | medium | 4 | 0 | | |
| oxidopamine | [no description available] | medium | 1 | 0 | benzenetriol;
catecholamine;
primary amino compound | drug metabolite;
human metabolite;
neurotoxin |
| n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | medium | 1 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | antineoplastic agent;
cyclooxygenase 2 inhibitor |
| lanthanum | [no description available] | medium | 1 | 0 | f-block element atom;
lanthanoid atom;
scandium group element atom | |
| lanthanum chloride | [no description available] | medium | 1 | 0 | | |
| gadolinium chloride | [no description available] | medium | 1 | 0 | gadolinium coordination entity | TRP channel blocker |
| gadolinium | [no description available] | medium | 1 | 0 | f-block element atom;
lanthanoid atom | |
| manganese | [no description available] | medium | 1 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
| 8-bromoadenosine-3',5'-cyclic monophosphorothioate | [no description available] | medium | 1 | 0 | | |
| ryanodine | [no description available] | medium | 1 | 0 | | |
| phosphotyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine | Escherichia coli metabolite;
immunogen |
| angiotensin ii, des-asp(1)-des-arg(2)-ile(5)- | [no description available] | medium | 1 | 0 | organic molecular entity | |
| gr 73632 | [no description available] | medium | 1 | 0 | | |
| sr 140333 | [no description available] | medium | 1 | 0 | | |
| quinuclidines | [no description available] | medium | 1 | 0 | quinuclidines;
saturated organic heterobicyclic parent | |
| ro 15-4513 | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound | |
| azides | [no description available] | medium | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| glycogen | [no description available] | medium | 2 | 0 | | |
| aldosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde | human metabolite;
mouse metabolite |
| cholecystokinin | [no description available] | medium | 1 | 0 | | |
| n(6)-2-(4-amino-3-iodophenyl)ethyladenosine | [no description available] | medium | 1 | 0 | | |
| 8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 1 | 0 | phenols;
tertiary amino compound;
tetralins | serotonergic antagonist |
| u-50488 | [no description available] | medium | 1 | 0 | dichlorobenzene;
monocarboxylic acid amide;
N-alkylpyrrolidine | analgesic;
antitussive;
calcium channel blocker;
diuretic;
kappa-opioid receptor agonist |
| tubocurarine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid | drug allergen;
muscle relaxant;
nicotinic antagonist |
| n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 2 | 0 | tripeptide | |
| neurokinin a | [no description available] | medium | 1 | 0 | | |
| veratridine | [no description available] | medium | 1 | 0 | | |
| histidine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| alprazolam | [no description available] | medium | 1 | 0 | organochlorine compound;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic |
| 2-phenylpyrazolo(4,3-c)quinolin-3(5h)-one | [no description available] | medium | 2 | 0 | | |
| sq-23377 | [no description available] | medium | 1 | 0 | cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid | calcium ionophore;
metabolite |
| 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 |
| terbutaline | [no description available] | medium | 1 | 0 | phenylethanolamines;
resorcinols | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent |
| phosphatidylcholines | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| 1,2-dioctanoylglycerol | [no description available] | medium | 1 | 0 | | |
| edetic acid | [no description available] | medium | 1 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |