| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| 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 | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| taxifolin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone | |
| phosphonoacetic acid | [no description available] | medium | 1 | 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 | 1 | 0 | catechols;
dihydroxyphenylacetic acid | human metabolite |
| aminocaproic acid | [no description available] | medium | 3 | 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 | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
| melatonin | [no description available] | medium | 3 | 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 | 3 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | | |
| 1,3-diethyl-8-phenylxanthine | [no description available] | medium | 1 | 0 | | |
| 1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 1 | 0 | oxopurine | adenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| 1,3-dipropyl-8-(4-sulfophenyl)xanthine | [no description available] | medium | 1 | 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 | 3 | 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 | 1 | 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 | 1 | 0 | oxadiazoloquinoxaline | EC 4.6.1.2 (guanylate cyclase) inhibitor |
| 2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
| 2-hydroxysaclofen | [no description available] | medium | 1 | 0 | organochlorine compound | |
| 3,4-dichloroisocoumarin | [no description available] | medium | 1 | 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 | 1 | 0 | benzoisoquinoline;
dicarboximide | |
| 4-aminopyridine | [no description available] | medium | 1 | 0 | aminopyridine;
aromatic amine | avicide;
orphan drug;
potassium channel blocker |
| homovanillic acid | [no description available] | medium | 1 | 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 | 1 | 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 | 3 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | | |
| 7-chlorokynurenic acid | [no description available] | medium | 1 | 0 | organochlorine compound;
quinolinemonocarboxylic acid | neuroprotective agent;
NMDA receptor antagonist |
| 7-nitroindazole | [no description available] | medium | 1 | 0 | | |
| 8-(4-sulfophenyl)theophylline | [no description available] | medium | 1 | 0 | | |
| 8-cyclopentyl-1,3-dimethylxanthine | [no description available] | medium | 1 | 0 | oxopurine | |
| 8-phenyltheophylline | [no description available] | medium | 1 | 0 | | |
| acetazolamide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| acetohexamide | [no description available] | medium | 3 | 0 | acetophenones;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| ag 127 | [no description available] | medium | 1 | 0 | nitrophenol | |
| rtki cpd | [no description available] | medium | 1 | 0 | aromatic ether;
monochlorobenzenes;
quinazolines | antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector |
| tyrphostin a23 | [no description available] | medium | 1 | 0 | catechols | |
| tyrphostin 25 | [no description available] | medium | 1 | 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 | 1 | 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 |
| theophylline | [no description available] | medium | 3 | 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 |
| amoxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | adrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor |
| aniracetam | [no description available] | medium | 1 | 0 | N-acylpyrrolidine;
pyrrolidin-2-ones | |
| 2-amino-4-phosphonobutyric acid | [no description available] | medium | 1 | 0 | | |
| aspirin | [no description available] | medium | 2 | 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 | 3 | 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 | 1 | 0 | monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid | fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist |
| azathioprine | [no description available] | medium | 3 | 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 | 1 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite |
| baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| bay-k-8644 | [no description available] | medium | 1 | 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 | 1 | 0 | N-acylindole | |
| brimonidine | [no description available] | medium | 1 | 0 | imidazoles;
quinoxaline derivative;
secondary amine | adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent |
| bumetanide | [no description available] | medium | 3 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| caffeine | [no description available] | medium | 3 | 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 |
| 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 | 1 | 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 |
| cgs 15943 | [no description available] | medium | 1 | 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 |
| chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| 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 | 3 | 0 | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| chlorzoxazone | [no description available] | medium | 3 | 0 | 1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound | muscle relaxant;
sedative |
| cilostamide | [no description available] | medium | 1 | 0 | quinolines | |
| cilostazol | [no description available] | medium | 1 | 0 | lactam;
tetrazoles | anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| 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 | 1 | 0 | cinnolines;
oxacycle;
oxo carboxylic acid | antibacterial drug;
antiinfective agent |
| ciprofibrate | [no description available] | medium | 3 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| clofibrate | [no description available] | medium | 3 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| clotrimazole | [no description available] | medium | 3 | 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 | 1 | 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 | 3 | 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 | 2 | 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 | 1 | 0 | 1,4-naphthoquinones | |
| domperidone | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| droperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
benzimidazoles;
organofluorine compound | anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
| ellipticine | [no description available] | medium | 1 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite |
| emodin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
| ethosuximide | [no description available] | medium | 3 | 0 | dicarboximide;
pyrrolidinone | anticonvulsant;
geroprotector;
T-type calcium channel blocker |
| etodolac | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| felbamate | [no description available] | medium | 3 | 0 | carbamate ester | anticonvulsant;
neuroprotective agent |
| felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| 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 | 3 | 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 | 3 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
| formoterol fumarate | [no description available] | medium | 1 | 0 | formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound | |
| fpl 64176 | [no description available] | medium | 1 | 0 | carboxylic ester;
pyrroles | calcium channel agonist |
| furafylline | [no description available] | medium | 1 | 0 | oxopurine | |
| furosemide | [no description available] | medium | 3 | 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 | 3 | 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 | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue |
| glyburide | [no description available] | medium | 1 | 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 | 3 | 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 | 3 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroxyurea | [no description available] | medium | 3 | 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 | 3 | 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 | 1 | 0 | indoles | |
| ifenprodil | [no description available] | medium | 3 | 0 | piperidines | |
| indirubin-3'-monoxime | [no description available] | medium | 1 | 0 | | |
| indomethacin | [no description available] | medium | 3 | 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 | | |
| 1-methyl-3-isobutylxanthine | [no description available] | medium | 1 | 0 | 3-isobutyl-1-methylxanthine | |
| 4-piperidinecarboxylic acid | [no description available] | medium | 1 | 0 | | |
| 4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | [no description available] | medium | 1 | 0 | | |
| jl 18 | [no description available] | medium | 1 | 0 | | |
| nsc 664704 | [no description available] | medium | 1 | 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 | 3 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
| ketoprofen | [no description available] | medium | 5 | 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 | 1 | 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 | 1 | 0 | 1,2,4-triazines;
dichlorobenzene;
primary arylamine | anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic |
| lansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| leflunomide | [no description available] | medium | 3 | 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 | 1 | 0 | indoles | |
| loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
| 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 | 1 | 0 | chromones;
morpholines;
organochlorine compound | autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector |
| meclofenamate sodium anhydrous | [no description available] | medium | 3 | 0 | organic sodium salt | |
| methiothepin | [no description available] | medium | 1 | 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 | 3 | 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 | 3 | 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 | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
| mitotane | [no description available] | medium | 1 | 0 | diarylmethane | |
| mitoxantrone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| ml 7 | [no description available] | medium | 1 | 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 | 1 | 0 | maleimides | anticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor |
| fg 7142 | [no description available] | medium | 1 | 0 | beta-carbolines | |
| fenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
secondary amino compound | membrane transport modulator |
| n 0840 | [no description available] | medium | 1 | 0 | | |
| nialamide | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| niclosamide | [no description available] | medium | 3 | 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 | 1 | 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 | 3 | 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 | 1 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent |
| masoprocol | [no description available] | medium | 1 | 0 | catechols;
lignan;
tetrol | antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite |
| 5-nitro-2-(3-phenylpropylamino)benzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid | |
| ns 2028 | [no description available] | medium | 1 | 0 | | |
| ns 1619 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
benzimidazoles;
phenols | potassium channel opener |
| o(6)-benzylguanine | [no description available] | medium | 1 | 0 | | |
| ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| olomoucine | [no description available] | medium | 1 | 0 | 2,6-diaminopurines;
ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| oxaprozin | [no description available] | medium | 3 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
| oxatomide | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | dihydrochalcones | antineoplastic agent;
plant metabolite |
| picotamide | [no description available] | medium | 1 | 0 | benzamides | |
| pinacidil | [no description available] | medium | 3 | 0 | pyridines | |
| pindolol | [no description available] | medium | 3 | 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 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| pirenperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| praziquantel | [no description available] | medium | 3 | 0 | isoquinolines | |
| primidone | [no description available] | medium | 3 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| proglumide | [no description available] | medium | 1 | 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 | 1 | 0 | oxopurine | |
| propofol | [no description available] | medium | 3 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| pf 5901 | [no description available] | medium | 1 | 0 | quinolines | |
| riluzole | [no description available] | medium | 3 | 0 | benzothiazoles | |
| risperidone | [no description available] | medium | 3 | 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 | 1 | 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 | 1 | 0 | methoxybenzenes | |
| rolipram | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| salmeterol xinafoate | [no description available] | medium | 1 | 0 | ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound | |
| sb 202190 | [no description available] | medium | 1 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| sobuzoxane | [no description available] | medium | 1 | 0 | organic molecular entity | |
| spiroxatrine | [no description available] | medium | 1 | 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 | 1 | 0 | benzamides;
N-alkylpyrrolidine;
sulfonamide | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
| t0156 | [no description available] | medium | 1 | 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 | 1 | 0 | phosphoramide | |
| thalidomide | [no description available] | medium | 1 | 0 | phthalimides;
piperidones | |
| theobromine | [no description available] | medium | 1 | 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 | 3 | 0 | N-sulfonylurea | hypoglycemic agent;
potassium channel blocker |
| tolbutamide | [no description available] | medium | 3 | 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 | 1 | 0 | pyrazolopyridine | |
| triamterene | [no description available] | medium | 1 | 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 | 1 | 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 |
| 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine | [no description available] | medium | 1 | 0 | | |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | medium | 3 | 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 | 1 | 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 | 1 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
| procaine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| isoproterenol hydrochloride | [no description available] | medium | 3 | 0 | catechols | |
| histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| carbachol | [no description available] | medium | 1 | 0 | ammonium salt;
carbamate ester | cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic |
| spironolactone | [no description available] | medium | 3 | 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 | 1 | 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 | 1 | 0 | hydrochloride | |
| dimethylphenylpiperazinium iodide | [no description available] | medium | 1 | 0 | N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
| pentylenetetrazole | [no description available] | medium | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
| racepinephrine hydrochloride | [no description available] | medium | 1 | 0 | | |
| (4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | [no description available] | medium | 1 | 0 | | |
| hexamethonium bromide | [no description available] | medium | 1 | 0 | | |
| cystamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride;
monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide |
| tetraethylammonium chloride | [no description available] | medium | 1 | 0 | organic chloride salt;
quaternary ammonium salt | potassium channel blocker |
| aspartic acid | [no description available] | medium | 1 | 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 | 3 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
| apomorphine | [no description available] | medium | 1 | 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 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent |
| levodopa | [no description available] | medium | 3 | 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 | 1 | 0 | | |
| bretylium tosylate | [no description available] | medium | 1 | 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 | 1 | 0 | quaternary ammonium salt | |
| androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| colchicine | [no description available] | medium | 5 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| yohimbine hydrochloride | [no description available] | medium | 1 | 0 | | |
| gallamine triethiodide | [no description available] | medium | 3 | 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 | 1 | 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 | 1 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone | human metabolite;
metabolite;
mouse metabolite;
progestin |
| quinacrine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| chlorpromazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
phenothiazines | anticoronaviral agent;
phenothiazine antipsychotic drug |
| cytarabine hydrochloride | [no description available] | medium | 1 | 0 | | |
| tryptophan | [no description available] | medium | 1 | 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 | 1 | 0 | hydrochloride | anti-arrhythmia drug;
local anaesthetic |
| arginine | [no description available] | medium | 3 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| rotenone | [no description available] | medium | 3 | 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 | 3 | 0 | pyridinium salt | |
| imipramine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antidepressant |
| neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
| edrophonium chloride | [no description available] | medium | 3 | 0 | chloride salt;
quaternary ammonium salt | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| suramin sodium | [no description available] | medium | 1 | 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 | 1 | 0 | anthrapyrazole;
aromatic ketone;
cyclic ketone | antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector |
| methapyrilene hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| tetrracaine hydrochloride | [no description available] | medium | 3 | 0 | benzoate ester | |
| chelidamic acid | [no description available] | medium | 1 | 0 | | |
| 2-chloroadenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| 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 | 1 | 0 | xanthenes | |
| hydralazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent;
vasodilator agent |
| ethamivan | [no description available] | medium | 3 | 0 | methoxybenzenes;
phenols | |
| pargyline hydrochloride | [no description available] | medium | 1 | 0 | | |
| aminophylline | [no description available] | medium | 1 | 0 | mixture | bronchodilator agent;
cardiotonic drug |
| azacitidine | [no description available] | medium | 3 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| orphenadrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| betamethasone | [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;
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 | 1 | 0 | | |
| cyproterone acetate | [no description available] | medium | 3 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester | androgen antagonist;
geroprotector;
progestin |
| bicuculline | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 0 | hydrochloride | nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| dequalinium chloride | [no description available] | medium | 1 | 0 | organic chloride salt | antifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor |
| decamethonium dibromide | [no description available] | medium | 1 | 0 | | |
| amitriptyline hydrochloride | [no description available] | medium | 3 | 0 | organic tricyclic compound | |
| naphazoline hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| doxylamine succinate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| carbamylhydrazine monohydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| formestane | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| debrisoquin sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | |
| betaine hydrochloride | [no description available] | medium | 3 | 0 | | |
| bethanechol chloride | [no description available] | medium | 1 | 0 | carbamate ester;
chloride salt;
quaternary ammonium salt | muscarinic agonist |
| acetylcysteine | [no description available] | medium | 3 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| Mecamylamine hydrochloride | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 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 | 3 | 0 | dichlorobenzene | |
| beclomethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic drug;
anti-inflammatory drug |
| buthionine sulfoximine | [no description available] | medium | 1 | 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 | 3 | 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 | 1 | 0 | hydrochloride | antidepressant;
muscle relaxant |
| n-methylaspartate | [no description available] | medium | 1 | 0 | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent |
| 3-deazaadenosine | [no description available] | medium | 1 | 0 | | |
| metoclopramide hydrochloride | [no description available] | medium | 3 | 0 | | |
| isoetharine mesylate | [no description available] | medium | 1 | 0 | | |
| zalcitabine | [no description available] | medium | 3 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| propionylpromazine hydrochloride | [no description available] | medium | 1 | 0 | | |
| camptothecin | [no description available] | medium | 3 | 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 | 1 | 0 | hydrochloride | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| pancuronium bromide | [no description available] | medium | 1 | 0 | bromide salt | cholinergic antagonist;
muscle relaxant;
nicotinic antagonist |
| tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator |
| danazol | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | anti-estrogen;
estrogen antagonist;
geroprotector |
| metergoline | [no description available] | medium | 1 | 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 | 3 | 0 | organoammonium phosphate | |
| bromocriptine | [no description available] | medium | 3 | 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 | 3 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| paclitaxel | [no description available] | medium | 3 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| buspirone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| etoposide | [no description available] | medium | 3 | 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 | 1 | 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 | 3 | 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 | 3 | 0 | beta-lactam antibiotic allergen;
cephalosporin | antibacterial drug |
| methyldopa | [no description available] | medium | 3 | 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 | 1 | 0 | anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative | |
| captopril | [no description available] | medium | 3 | 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 | 1 | 0 | | |
| pergolide mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug;
dopamine agonist;
geroprotector |
| ranitidine hydrochloride | [no description available] | medium | 1 | 0 | | |
| colforsin | [no description available] | medium | 1 | 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 | 3 | 0 | aromatic ketone | |
| atomoxetine | [no description available] | medium | 3 | 0 | aromatic ether;
secondary amino compound;
toluenes | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic |
| raloxifene hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| mifepristone | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| aptiganel hydrochloride | [no description available] | medium | 1 | 0 | | |
| adenosine | [no description available] | medium | 3 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| phenelzine sulfate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
| propranolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| bupropion hydrochloride | [no description available] | medium | 3 | 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 | 1 | 0 | methanesulfonate salt | geroprotector |
| terfenadine | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| dobutamine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent |
| desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
| dopamine hydrochloride | [no description available] | medium | 1 | 0 | catecholamine | |
| proadifen hydrochloride | [no description available] | medium | 1 | 0 | | |
| 4-nitrobenzylthioinosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| metrifudil | [no description available] | medium | 1 | 0 | | |
| rutecarpine | [no description available] | medium | 1 | 0 | beta-carbolines | |
| trihexyphenidyl hydrochloride | [no description available] | medium | 1 | 0 | aralkylamine | |
| thioridazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | first generation antipsychotic;
geroprotector |
| procainamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| siquil | [no description available] | medium | 1 | 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 | 1 | 0 | hydrochloride | alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| alprenolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| 2-methoxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite |
| fluphenazine hydrochloride | [no description available] | medium | 1 | 0 | phenothiazines | anticoronaviral agent |
| tryptamine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| clomipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug |
| amiloride hydrochloride | [no description available] | medium | 3 | 0 | hydrate | diuretic;
sodium channel blocker |
| prazosin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| mianserin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
| lomefloxacin hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antimicrobial agent;
antitubercular agent;
photosensitizing agent |
| fenspiride hydrochloride | [no description available] | medium | 1 | 0 | | |
| nilverm | [no description available] | medium | 1 | 0 | organic molecular entity | |
| sanguinarine chloride | [no description available] | medium | 1 | 0 | | |
| ropinirole hydrochloride | [no description available] | medium | 1 | 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 | 1 | 0 | methanesulfonate salt | non-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent |
| ranolazine hydrochloride | [no description available] | medium | 1 | 0 | | |
| loxapine succinate | [no description available] | medium | 1 | 0 | succinate salt | geroprotector |
| guanfacine hydrochloride | [no description available] | medium | 1 | 0 | acetamides | geroprotector |
| pirenzepine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| labetalol hydrochloride | [no description available] | medium | 1 | 0 | salicylamides | |
| acecainide hydrochloride | [no description available] | medium | 1 | 0 | | |
| loperamide hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| maprotiline hydrochloride | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| tosyllysine chloromethyl ketone | [no description available] | medium | 1 | 0 | | |
| 5-(n-methyl-n-isobutyl)amiloride | [no description available] | medium | 1 | 0 | | |
| 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor |
| amperozide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist |
| pyrrolidine dithiocarbamic acid | [no description available] | medium | 1 | 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 | 1 | 0 | organic molecular entity | |
| benzamidine hydrochloride | [no description available] | medium | 1 | 0 | | |
| ketorolac tromethamine | [no description available] | medium | 3 | 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 | 1 | 0 | carbonyl compound | |
| phentolamine mesylate | [no description available] | medium | 3 | 0 | | |
| mephentermine | [no description available] | medium | 1 | 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 | 3 | 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 | 1 | 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 | 1 | 0 | 3-hydroxy-5alpha-pregnan-20-one | antidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative |
| phenylisopropyladenosine | [no description available] | medium | 1 | 0 | aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound | adenosine A1 receptor agonist;
neuroprotective agent |
| hexamethonium chloride | [no description available] | medium | 1 | 0 | | |
| 6-(4-nitrobenzylthio)guanosine | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| 3,7-dimethyl-1-propargylxanthine | [no description available] | medium | 1 | 0 | | |
| zpck | [no description available] | medium | 3 | 0 | | |
| n(6)-phenyladenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| tetrahydrodeoxycorticosterone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| n-methyladenosine | [no description available] | medium | 1 | 0 | methyladenosine | |
| mizoribine | [no description available] | medium | 1 | 0 | imidazoles | anticoronaviral agent |
| 1-amino-1,3-dicarboxycyclopentane | [no description available] | medium | 1 | 0 | | |
| u 73122 | [no description available] | medium | 1 | 0 | aromatic ether;
aza-steroid;
maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
| alphaxalone | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| vanoxerine | [no description available] | medium | 1 | 0 | hydrochloride | dopamine uptake inhibitor |
| methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | [no description available] | medium | 1 | 0 | beta-carbolines | |
| u 69593 | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| beta-carboline-3-carboxylic acid methyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
| methoctramine | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | | |
| parthenolide | [no description available] | medium | 1 | 0 | germacranolide | |
| 3',4'-dichlorobenzamil | [no description available] | medium | 1 | 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 | 1 | 0 | indolyl carboxylate ester;
piperidines;
sulfonamide | serotonergic antagonist |
| gallopamil hydrochloride | [no description available] | medium | 1 | 0 | | |
| gamma-glutamylaminomethylsulfonic acid | [no description available] | medium | 1 | 0 | | |
| buthionine sulfoximine | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| 1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 0 | diarylmethane | |
| e 64 | [no description available] | medium | 1 | 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 | 1 | 0 | morpholines | |
| methotrexate | [no description available] | medium | 5 | 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 | 1 | 0 | | |
| sr 2640 | [no description available] | medium | 1 | 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 | 3 | 0 | phenylindole | |
| 3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | [no description available] | medium | 1 | 0 | | |
| 8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine | [no description available] | medium | 1 | 0 | | |
| l 741626 | [no description available] | medium | 3 | 0 | piperidines | |
| nisoxetine hydrochloride | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| imidazole-4-acetic acid hydrochloride | [no description available] | medium | 1 | 0 | | |
| nsc-141549 | [no description available] | medium | 3 | 0 | | |
| 2-chloro-2-deoxyglucose | [no description available] | medium | 1 | 0 | | |
| idazoxan hydrochloride | [no description available] | medium | 1 | 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 | 3 | 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 | 1 | 0 | | |
| aminopterin | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| sk&f 75670 | [no description available] | medium | 1 | 0 | | |
| esatenolol | [no description available] | medium | 1 | 0 | atenolol | beta-adrenergic antagonist |
| nbi 27914 | [no description available] | medium | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
| sb 216763 | [no description available] | medium | 1 | 0 | indoles;
maleimides | |
| (R)-atenolol | [no description available] | medium | 1 | 0 | atenolol | |
| memantine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist |
| pefabloc | [no description available] | medium | 1 | 0 | | |
| pongidae | [no description available] | medium | 1 | 0 | | |
| succinylproline | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| sb 205384 | [no description available] | medium | 1 | 0 | thienopyridine | |
| hydrastine | [no description available] | medium | 1 | 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 | 1 | 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 | 3 | 0 | organic sulfate salt | antineoplastic agent;
geroprotector |
| n-methylserotonin oxalate salt | [no description available] | medium | 1 | 0 | | |
| nsc 95397 | [no description available] | medium | 3 | 0 | 1,4-naphthoquinones | |
| wortmannin | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound | anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent |
| 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 | 1 | 0 | 11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone | anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite |
| tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 3 | 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 | 1 | 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 | 1 | 0 | deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| amiodarone hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
| dicyclomine hydrochloride | [no description available] | medium | 1 | 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 | 3 | 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 | 1 | 0 | organic molecular entity | |
| sb 228357 | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
| dihydroergocristine monomesylate | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | | |
| adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 1 | 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 |
| 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 | 1 | 0 | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| isoliquiritigenin | [no description available] | medium | 1 | 0 | chalcones | antineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist |
| rauwolscine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
| gw9662 | [no description available] | medium | 1 | 0 | benzamides | |
| calmidazolium | [no description available] | medium | 1 | 0 | organic chloride salt | apoptosis inducer;
calmodulin antagonist |
| tropisetron hydrochloride | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
| methamilane methiodide | [no description available] | medium | 1 | 0 | | |
| pilocarpine nitrate | [no description available] | medium | 1 | 0 | | |
| r 59949 | [no description available] | medium | 1 | 0 | diarylmethane | |
| n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
| methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
| sb 366791 | [no description available] | medium | 1 | 0 | | |
| ag-213 | [no description available] | medium | 1 | 0 | | |
| 3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| 4-fluorophenyl-L-alanine | [no description available] | medium | 1 | 0 | 4-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid | |
| urocanic acid | [no description available] | medium | 1 | 0 | urocanic acid | human metabolite |
| cotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid | antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite |
| cinnarizine | [no description available] | medium | 1 | 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 | 3 | 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 | 3 | 0 | hydrochloride | |
| tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 4-bromotetramisole, oxalate (1:1), salt(s)-isomer | [no description available] | medium | 1 | 0 | | |
| 3-hydroxybenzylhydrazine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 1-(3-chlorophenyl)biguanide hydrochloride | [no description available] | medium | 1 | 0 | | |
| 4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer | [no description available] | medium | 1 | 0 | | |
| capsazepine | [no description available] | medium | 1 | 0 | benzazepine;
catechols;
monochlorobenzenes;
thioureas | capsaicin receptor antagonist |
| diphenyleneiodium chloride | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | aryl sulfide;
dinitrile;
enamine;
substituted aniline | antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent |
| 4-diphenylacetoxy-n-methylpiperidine methiodide | [no description available] | medium | 1 | 0 | iodide salt;
quaternary ammonium salt | cholinergic antagonist;
muscarinic antagonist |
| 1-(4-hydroxybenzyl)imidazole-2-thiol | [no description available] | medium | 1 | 0 | | |
| 2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | [no description available] | medium | 1 | 0 | | |
| bp 897 | [no description available] | medium | 1 | 0 | naphthalenecarboxamide | |
| trequinsin hydrochloride | [no description available] | medium | 1 | 0 | | |
| neboglamine | [no description available] | medium | 1 | 0 | | |
| benzatropine methanesulfonate | [no description available] | medium | 1 | 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 | 1 | 0 | 1,2-thiazoles;
indoles;
ureas | receptor modulator;
serotonergic antagonist |
| gw 7647 | [no description available] | medium | 1 | 0 | aryl sulfide;
monocarboxylic acid;
ureas | PPARalpha agonist |
| ro 41-0960 | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| brl 15572 | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol | geroprotector;
serotonergic antagonist |
| mrs 1523 | [no description available] | medium | 1 | 0 | | |
| or486 | [no description available] | medium | 1 | 0 | | |
| fg 9041 | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
| iik7 | [no description available] | medium | 1 | 0 | | |
| sb 415286 | [no description available] | medium | 1 | 0 | C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline | antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
| dm 235 | [no description available] | medium | 1 | 0 | | |
| jhw 015 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
| bw 723c86 | [no description available] | medium | 1 | 0 | tryptamines | |
| sc 560 | [no description available] | medium | 1 | 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 | 1 | 0 | indoles | |
| ly 367265 | [no description available] | medium | 1 | 0 | dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline | antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor |
| diclofenac sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cgp 7930 | [no description available] | medium | 1 | 0 | alkylbenzene | |
| 1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | [no description available] | medium | 1 | 0 | phenols;
pyrazoles | estrogen receptor agonist |
| sib 1757 | [no description available] | medium | 1 | 0 | | |
| sphingosine | [no description available] | medium | 1 | 0 | sphing-4-enine | human metabolite;
mouse metabolite |
| apigenin | [no description available] | medium | 1 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
| luteolin | [no description available] | medium | 3 | 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 | 1 | 0 | hydroxycoumarin | |
| genistein | [no description available] | medium | 3 | 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 | 1 | 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 | 3 | 0 | organic molecular entity | |
| clemastine fumarate | [no description available] | medium | 3 | 0 | fumarate salt | anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist |
| methylergonovine maleate | [no description available] | medium | 3 | 0 | ergoline alkaloid | geroprotector |
| astaxanthine | [no description available] | medium | 1 | 0 | carotenol;
carotenone | animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite |
| harman | [no description available] | medium | 1 | 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 | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
| daidzein | [no description available] | medium | 3 | 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 | 1 | 0 | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent |
| rottlerin | [no description available] | medium | 1 | 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 | 2 | 0 | flupenthixol | dopaminergic antagonist |
| n-oleoyldopamine | [no description available] | medium | 1 | 0 | catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide | TRPV1 agonist |
| pheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| tranilast | [no description available] | medium | 1 | 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 | 1 | 0 | maleate salt | antidepressant |
| isotretinoin | [no description available] | medium | 3 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| xylometazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
| flunarizine hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
| ketotifen fumarate | [no description available] | medium | 1 | 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 | 1 | 0 | fatty amide;
N-acylglycine | |
| n-oleoylethanolamine | [no description available] | medium | 3 | 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 | 3 | 0 | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite |
| phenoxybenzamine hydrochloride | [no description available] | medium | 3 | 0 | organic molecular entity | |
| phenylephrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| mepyramine maleate | [no description available] | medium | 1 | 0 | | |
| brefeldin a | [no description available] | medium | 1 | 0 | macrolide antibiotic | Penicillium metabolite |
| fenretinide | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 0 | | |
| ro 41-1049 | [no description available] | medium | 1 | 0 | | |
| sb 200646a | [no description available] | medium | 1 | 0 | | |
| seglitide | [no description available] | medium | 1 | 0 | | |
| sib 1893 | [no description available] | medium | 1 | 0 | | |
| su 6656 | [no description available] | medium | 1 | 0 | | |
| tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
| tyrphostin ag-494 | [no description available] | medium | 1 | 0 | | |
| tyrphostin b44 | [no description available] | medium | 1 | 0 | | |
| ag-490 | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| ag 183 | [no description available] | medium | 1 | 0 | | |
| semaxinib | [no description available] | medium | 1 | 0 | olefinic compound;
oxindoles;
pyrroles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| 8-(3-chlorostyryl)caffeine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
trimethylxanthine | adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| bay 11-7085 | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 0 | | |
| nalbuphine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| isoalloxazine | [no description available] | medium | 1 | 0 | benzo[g]pteridine-2,4-dione | |
| vinblastine sulfate | [no description available] | medium | 3 | 0 | | |
| n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
| dextromethorphan hydrobromide | [no description available] | medium | 3 | 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 | 1 | 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 | 1 | 0 | hydrochloride | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| guanabenz acetate | [no description available] | medium | 1 | 0 | dichlorobenzene | geroprotector |
| nylidrin hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
| triprolidine hydrochloride anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | H1-receptor antagonist |
| famotidine | [no description available] | medium | 3 | 0 | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| tiapridex | [no description available] | medium | 1 | 0 | benzamides | |
| quipazine maleate | [no description available] | medium | 1 | 0 | | |
| n-(2-aminoethyl)-4-chlorobenzamide hydrochloride | [no description available] | medium | 1 | 0 | | |
| tulobuterol hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| hp 029 | [no description available] | medium | 1 | 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 | 1 | 0 | naphthalenes | |
| nf023 | [no description available] | medium | 1 | 0 | | |
| nf 449 | [no description available] | medium | 1 | 0 | | |
| 7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine | [no description available] | medium | 1 | 0 | | |
| gr 46611 | [no description available] | medium | 1 | 0 | | |
| diacetylmonoxime | [no description available] | medium | 1 | 0 | | |
| homatropine hydrobromide, (endo-(+-)-isomer) | [no description available] | medium | 1 | 0 | | |
| vancomycin hydrochloride | [no description available] | medium | 1 | 0 | | |
| moxisylyte hydrochloride | [no description available] | medium | 1 | 0 | monoterpenoid | |
| dizocilpine maleate | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| zimelidine hydrochloride | [no description available] | medium | 1 | 0 | | |
| pregna-4,17-diene-3,16-dione, (17z)-isomer | [no description available] | medium | 1 | 0 | | |
| su 4312 | [no description available] | medium | 1 | 0 | | |
| gw 1929 | [no description available] | medium | 1 | 0 | benzophenones | |
| protriptyline hydrochloride | [no description available] | medium | 1 | 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 | 1 | 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 | 3 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | quinolines | |
| dantrolene sodium | [no description available] | medium | 3 | 0 | | |
| cr 2945 | [no description available] | medium | 1 | 0 | | |
| sb 218795 | [no description available] | medium | 3 | 0 | quinolines | |
| dihydroceramide | [no description available] | medium | 1 | 0 | N-acylsphinganine | |
| epinephrine bitartrate | [no description available] | medium | 1 | 0 | | |
| bicuculline methobromide | [no description available] | medium | 1 | 0 | | |
| butylscopolammonium bromide | [no description available] | medium | 1 | 0 | | |
| butaclamol hydrochloride | [no description available] | medium | 1 | 0 | | |
| a 38503 | [no description available] | medium | 3 | 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 | | |
| cv 1808 | [no description available] | medium | 1 | 0 | purine nucleoside | |
| fluvoxamine maleate | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
| naloxone benzoylhydrazone | [no description available] | medium | 1 | 0 | | |
| 2-methyl-6-(phenylethynyl)pyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug;
metabotropic glutamate receptor antagonist |
| amiprilose | [no description available] | medium | 1 | 0 | | |
| (R)-fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant;
serotonin uptake inhibitor |
| desmethylselegiline hydrochloride | [no description available] | medium | 1 | 0 | | |
| 3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| t 1032 | [no description available] | medium | 1 | 0 | | |
| qx-314 bromide | [no description available] | medium | 1 | 0 | | |
| (S)-fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant;
serotonin uptake inhibitor |
| sr 59230a | [no description available] | medium | 1 | 0 | | |
| u 74389g | [no description available] | medium | 1 | 0 | | |
| 1-(2-methoxyphenyl)piperazine hydrochloride | [no description available] | medium | 1 | 0 | | |
| y 27632, dihydrochloride, (4(r)-trans)-isomer | [no description available] | medium | 1 | 0 | | |
| noscapine hydrochloride | [no description available] | medium | 1 | 0 | | |
| a 77636 | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug;
dopamine agonist |
| cgp 20712a | [no description available] | medium | 1 | 0 | | |
| levodopa methyl ester hydrochloride | [no description available] | medium | 1 | 0 | | |
| benalfocin hydrochloride | [no description available] | medium | 1 | 0 | | |
| lu 19005 | [no description available] | medium | 1 | 0 | | |
| benoxathian hydrochloride | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| n-cyclopropyl adenosine-5'-carboxamide | [no description available] | medium | 1 | 0 | | |
| cefotaxime sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| calpain inhibitor iii | [no description available] | medium | 1 | 0 | | |
| GR 127935 hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | serotonergic antagonist |
| mrs 1845 | [no description available] | medium | 1 | 0 | | |
| 1-aminocyclopropane-1-carboxylic acid hydrochloride | [no description available] | medium | 1 | 0 | | |
| alaproclate hydrochloride | [no description available] | medium | 1 | 0 | | |
| ubenimex | [no description available] | medium | 1 | 0 | peptide | |
| 3-chloroalanine hydrochloride, (l-ala)-isomer | [no description available] | medium | 1 | 0 | | |
| dsp 4 hydrochloride | [no description available] | medium | 1 | 0 | | |
| calcimycin | [no description available] | medium | 1 | 0 | benzoxazole | |
| (2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic antagonist |
| 2-cyclooctyl-2-hydroxyethylamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| cirazoline monohydrochloride | [no description available] | medium | 1 | 0 | | |
| adtn | [no description available] | medium | 1 | 0 | | |
| apocodeine hydrochloride, (r)-isomer | [no description available] | medium | 1 | 0 | | |
| Dihydro-beta-erythroidine hydrobromide | [no description available] | medium | 1 | 0 | indoles | |
| lilly 78335 | [no description available] | medium | 1 | 0 | | |
| efaroxan hydrochloride | [no description available] | medium | 1 | 0 | | |
| fenoldopam hydrobromide | [no description available] | medium | 1 | 0 | | |
| 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | dopamine uptake inhibitor |
| guvacine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide | [no description available] | medium | 1 | 0 | | |
| 8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer, | [no description available] | medium | 1 | 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 | 1 | 0 | hydrochloride | receptor modulator;
serotonergic antagonist |
| 4-iodoclonidine | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| octoclothepine maleate | [no description available] | medium | 1 | 0 | | |
| 2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride | [no description available] | medium | 1 | 0 | | |
| du 24565 | [no description available] | medium | 1 | 0 | | |
| 2-methoxyidazoxan hydrochloride | [no description available] | medium | 1 | 0 | | |
| ro 25-6981 | [no description available] | medium | 1 | 0 | | |
| sk&f 77434 | [no description available] | medium | 1 | 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 | 1 | 0 | organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
| demethylcantharidin | [no description available] | medium | 1 | 0 | | |
| atropine sulfate | [no description available] | medium | 1 | 0 | | |
| 1-deoxynojirimycin hydrochloride | [no description available] | medium | 1 | 0 | | |
| win 62577 | [no description available] | medium | 1 | 0 | | |
| quinine sulfate | [no description available] | medium | 3 | 0 | hydrate | |
| quercetin | [no description available] | medium | 1 | 0 | | |
| rv 538, (r-(r*,r*))-isomer | [no description available] | medium | 1 | 0 | | |
| 3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer | [no description available] | medium | 1 | 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 | 1 | 0 | bile salt | |
| cefmetazole sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antimicrobial agent |
| fusidate sodium | [no description available] | medium | 1 | 0 | | |
| cephapirin sodium | [no description available] | medium | 3 | 0 | cephalosporin;
organic sodium salt | antibacterial drug |
| sodium cephalothin | [no description available] | medium | 3 | 0 | organic sodium salt | |
| cefazolin sodium | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 0 | 2-pyranones;
catechols | antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite |
| minocycline hydrochloride | [no description available] | medium | 3 | 0 | | |
| demeclocycline hydrochloride | [no description available] | medium | 3 | 0 | | |
| acyclovir | [no description available] | medium | 1 | 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 | 5 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| zaprinast | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
| allopurinol | [no description available] | medium | 3 | 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 | 1 | 0 | organic sodium salt | muscle relaxant;
protein kinase G agonist |
| ag-879 | [no description available] | medium | 1 | 0 | | |
| berotek | [no description available] | medium | 1 | 0 | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent |
| 4-ethoxy-3-phenylsulfonylfuroxan | [no description available] | medium | 1 | 0 | | |
| ethylene dichloride | [no description available] | medium | 2 | 0 | chloroethanes | hepatotoxic agent;
mutagen;
non-polar solvent |
| ethylene glycol | [no description available] | medium | 2 | 0 | ethanediol;
glycol | metabolite;
mouse metabolite;
solvent;
toxin |
| hexachlorocyclohexane | [no description available] | medium | 2 | 0 | chlorocyclohexane | |
| inositol | [no description available] | medium | 2 | 0 | cyclitol;
hexol | |
| niacin | [no description available] | medium | 2 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| pyridoxine | [no description available] | medium | 2 | 0 | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| thiamine | [no description available] | medium | 2 | 0 | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 2,4-dinitrophenol | [no description available] | medium | 2 | 0 | dinitrophenol | allergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor |
| 3-methylcholanthrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| tacrine | [no description available] | medium | 2 | 0 | acridines;
aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| acetaminophen | [no description available] | medium | 2 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| albendazole | [no description available] | medium | 2 | 0 | aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator |
| aminoglutethimide | [no description available] | medium | 2 | 0 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| amiodarone | [no description available] | medium | 2 | 0 | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug |
| astemizole | [no description available] | medium | 4 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
| benzbromarone | [no description available] | medium | 4 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| bicalutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | |
| bithionol | [no description available] | medium | 2 | 0 | aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol | antifungal agrochemical;
antiplatyhelmintic drug |
| bupivacaine | [no description available] | medium | 2 | 0 | aromatic amide;
piperidinecarboxamide;
tertiary amino compound | |
| buspirone | [no description available] | medium | 2 | 0 | azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| busulfan | [no description available] | medium | 2 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| candesartan | [no description available] | medium | 2 | 0 | benzimidazolecarboxylic acid;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| chlorpromazine | [no description available] | medium | 2 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| ciclopirox | [no description available] | medium | 2 | 0 | cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone | antibacterial agent;
antiseborrheic |
| ciglitazone | [no description available] | medium | 2 | 0 | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug |
| cisapride | [no description available] | medium | 2 | 0 | benzamides | |
| citalopram | [no description available] | medium | 2 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| clomipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor |
| cromolyn | [no description available] | medium | 2 | 0 | chromones;
dicarboxylic acid | anti-asthmatic drug;
calcium channel blocker |
| dapsone | [no description available] | medium | 2 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| 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 |
| diclofenac | [no description available] | medium | 2 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| diethylcarbamazine | [no description available] | medium | 2 | 0 | N-carbamoylpiperazine;
N-methylpiperazine | |
| diflunisal | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| dimercaprol | [no description available] | medium | 2 | 0 | dithiol;
primary alcohol | chelator |
| valproic acid | [no description available] | medium | 2 | 0 | branched-chain fatty acid;
branched-chain saturated fatty acid | anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent |
| donepezil | [no description available] | medium | 2 | 0 | aromatic ether;
indanones;
piperidines;
racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent |
| carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | medium | 2 | 0 | aromatic ether;
hydrazone;
nitrile;
organofluorine compound | ATP synthase inhibitor;
geroprotector;
ionophore |
| fexofenadine | [no description available] | medium | 2 | 0 | piperidines;
tertiary amine | anti-allergic agent;
H1-receptor antagonist |
| fipexide | [no description available] | medium | 2 | 0 | benzodioxoles | |
| fluconazole | [no description available] | medium | 2 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| flucytosine | [no description available] | medium | 2 | 0 | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug |
| flufenamic acid | [no description available] | medium | 2 | 0 | aromatic amino acid;
organofluorine compound | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| fluoxetine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| flurbiprofen | [no description available] | medium | 2 | 0 | fluorobiphenyl;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| foscarnet | [no description available] | medium | 2 | 0 | carboxylic acid;
one-carbon compound;
phosphonic acids | antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor |
| gemfibrozil | [no description available] | medium | 2 | 0 | aromatic ether | antilipemic drug |
| glafenine | [no description available] | medium | 2 | 0 | aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound | inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gliclazide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent;
insulin secretagogue;
radical scavenger |
| glimepiride | [no description available] | medium | 2 | 0 | sulfonamide | |
| glutethimide | [no description available] | medium | 2 | 0 | piperidines | |
| hexachlorophene | [no description available] | medium | 2 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| hycanthone | [no description available] | medium | 2 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| phenelzine | [no description available] | medium | 2 | 0 | primary amine | |
| lidocaine | [no description available] | medium | 2 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| ifosfamide | [no description available] | medium | 2 | 0 | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| amrinone | [no description available] | medium | 2 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| iproniazid | [no description available] | medium | 2 | 0 | carbohydrazide;
pyridines | |
| avapro | [no description available] | medium | 2 | 0 | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| isocarboxazid | [no description available] | medium | 2 | 0 | benzenes | |
| isoniazid | [no description available] | medium | 2 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| ketotifen | [no description available] | medium | 2 | 0 | cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound | anti-asthmatic drug;
H1-receptor antagonist |
| labetalol | [no description available] | medium | 2 | 0 | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | |
| losartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| maprotiline | [no description available] | medium | 2 | 0 | anthracenes | |
| mebendazole | [no description available] | medium | 4 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
| mefenamic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid;
secondary amino compound | analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| memantine | [no description available] | medium | 2 | 0 | adamantanes;
primary aliphatic amine | antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist |
| vitamin k 3 | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| meprobamate | [no description available] | medium | 2 | 0 | organic molecular entity | |
| metformin | [no description available] | medium | 2 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| methapyrilene | [no description available] | medium | 2 | 0 | ethylenediamine derivative | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| methylphenidate | [no description available] | medium | 2 | 0 | beta-amino acid ester;
methyl ester;
piperidines | |
| metronidazole | [no description available] | medium | 2 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| mianserin | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist |
| miconazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
ether;
imidazoles | |
| nalidixic acid | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| nefazodone | [no description available] | medium | 2 | 0 | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor |
| nisoldipine | [no description available] | medium | 2 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester | |
| nomifensine | [no description available] | medium | 2 | 0 | isoquinolines | dopamine uptake inhibitor |
| oxibendazole | [no description available] | medium | 4 | 0 | benzimidazoles;
carbamate ester | |
| aminosalicylic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| pamidronate | [no description available] | medium | 2 | 0 | phosphonoacetic acid | |
| 4-dichlorobenzene | [no description available] | medium | 2 | 0 | dichlorobenzene | insecticide |
| pargyline | [no description available] | medium | 2 | 0 | aromatic amine | |
| pemoline | [no description available] | medium | 2 | 0 | 1,3-oxazoles | central nervous system stimulant |
| perhexiline | [no description available] | medium | 2 | 0 | piperidines | cardiovascular drug |
| phenacetin | [no description available] | medium | 2 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| pioglitazone | [no description available] | medium | 2 | 0 | aromatic ether;
pyridines;
thiazolidinediones | antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic |
| probenecid | [no description available] | medium | 2 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| probucol | [no description available] | medium | 2 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| 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 |
| pyrimethamine | [no description available] | medium | 2 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| raloxifene | [no description available] | medium | 2 | 0 | 1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| ranitidine | [no description available] | medium | 2 | 0 | aralkylamine | |
| sulfabenzamide | [no description available] | medium | 2 | 0 | benzenes;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antimicrobial drug |
| sulfamethizole | [no description available] | medium | 2 | 0 | sulfonamide antibiotic;
sulfonamide;
thiadiazoles | antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfanilamide | [no description available] | medium | 2 | 0 | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| sulfasalazine | [no description available] | medium | 2 | 0 | | |
| sulfinpyrazone | [no description available] | medium | 2 | 0 | pyrazolidines;
sulfoxide | uricosuric drug |
| sumatriptan | [no description available] | medium | 2 | 0 | sulfonamide;
tryptamines | serotonergic agonist;
vasoconstrictor agent |
| gatifloxacin | [no description available] | medium | 2 | 0 | N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| ticlopidine | [no description available] | medium | 2 | 0 | monochlorobenzenes;
thienopyridine | anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| tolmetin | [no description available] | medium | 2 | 0 | aromatic ketone;
monocarboxylic acid;
pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| trifluoperazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug |
| trimethadione | [no description available] | medium | 2 | 0 | oxazolidinone | anticonvulsant;
geroprotector |
| troglitazone | [no description available] | medium | 2 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
| pirinixic acid | [no description available] | medium | 1 | 0 | aryl sulfide;
organochlorine compound;
pyrimidines | |
| ici 204,219 | [no description available] | medium | 2 | 0 | carbamate ester;
indoles;
N-sulfonylcarboxamide | anti-asthmatic agent;
leukotriene antagonist |
| zolpidem | [no description available] | medium | 2 | 0 | imidazopyridine | central nervous system depressant;
GABA agonist;
sedative |
| zomepirac | [no description available] | medium | 2 | 0 | aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles | cardiovascular drug;
non-steroidal anti-inflammatory drug |
| oxyphenonium | [no description available] | medium | 2 | 0 | acylcholine | |
| cephaloridine | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug |
| sorbitol | [no description available] | medium | 2 | 0 | glucitol | cathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| floxuridine | [no description available] | medium | 2 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent |
| prednisone | [no description available] | medium | 2 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug |
| 2-acetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
| idoxuridine | [no description available] | medium | 2 | 0 | organoiodine compound;
pyrimidine 2'-deoxyribonucleoside | antiviral drug;
DNA synthesis inhibitor |
| pilocarpine | [no description available] | medium | 2 | 0 | pilocarpine | antiglaucoma drug |
| triiodothyronine | [no description available] | medium | 2 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
| isonicotinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite;
human metabolite |
| carbon tetrachloride | [no description available] | medium | 2 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| ethinyl estradiol | [no description available] | medium | 2 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| acetylcholine chloride | [no description available] | medium | 2 | 0 | quaternary ammonium salt | |
| dimethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | geroprotector;
mutagen |
| lactose | [no description available] | medium | 2 | 0 | lactose | |
| primaquine phosphate | [no description available] | medium | 2 | 0 | | |
| uracil mustard | [no description available] | medium | 2 | 0 | aminouracil;
nitrogen mustard | |
| chloroform | [no description available] | medium | 2 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
| dimethylformamide | [no description available] | medium | 1 | 0 | formamides;
volatile organic compound | geroprotector;
hepatotoxic agent;
polar aprotic solvent |
| norethindrone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | progestin;
synthetic oral contraceptive |
| medroxyprogesterone acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester | adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive |
| mestranol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| tromethamine | [no description available] | medium | 2 | 0 | primary amino compound;
triol | buffer |
| trichloroethylene | [no description available] | medium | 2 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| cyclizine | [no description available] | medium | 3 | 0 | N-alkylpiperazine | antiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic |
| isosorbide dinitrate | [no description available] | medium | 2 | 0 | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent |
| hexachlorobutadiene | [no description available] | medium | 1 | 0 | organochlorine compound | |
| phenothiazine | [no description available] | medium | 2 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| 2-bromophenol | [no description available] | medium | 2 | 0 | bromophenol | marine metabolite |
| 3-dinitrobenzene | [no description available] | medium | 1 | 0 | dinitrobenzene | neurotoxin |
| 4,4'-diaminodiphenylmethane | [no description available] | medium | 2 | 0 | aromatic amine | allergen;
carcinogenic agent |
| phenylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | allergen;
reagent |
| 4-bromophenol | [no description available] | medium | 2 | 0 | bromophenol | human urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite |
| 2-bromoethylamine | [no description available] | medium | 2 | 0 | | |
| allyl alcohol | [no description available] | medium | 2 | 0 | primary allylic alcohol;
propenol | antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite |
| bromobenzene | [no description available] | medium | 2 | 0 | bromoarene;
bromobenzenes;
volatile organic compound | hepatotoxic agent;
mouse metabolite;
non-polar solvent |
| mephobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant |
| di-n-pentyl phthalate | [no description available] | medium | 2 | 0 | diester;
phthalate ester | plasticiser |
| cinchophen | [no description available] | medium | 2 | 0 | quinolines | |
| phenazopyridine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| tripelennamine hydrochloride | [no description available] | medium | 2 | 0 | | |
| ethynodiol diacetate | [no description available] | medium | 2 | 0 | steroid ester;
terminal acetylenic compound | contraceptive drug;
estrogen receptor modulator;
synthetic oral contraceptive |
| hydrazine | [no description available] | medium | 2 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| monocrotaline | [no description available] | medium | 2 | 0 | pyrrolizidine alkaloid | |
| pseudoephedrine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | plant metabolite |
| procarbazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
| lithocholic acid | [no description available] | medium | 2 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
| chenodeoxycholic acid | [no description available] | medium | 2 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| 1-naphthylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | insecticide |
| isoxsuprine hydrochloride | [no description available] | medium | 2 | 0 | alkylbenzene | |
| 3-hydroxyacetanilide | [no description available] | medium | 2 | 0 | acetamides;
phenols | non-narcotic analgesic |
| methoxyacetic acid | [no description available] | medium | 2 | 0 | ether;
monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen |
| erythromycin | [no description available] | medium | 2 | 0 | cyclic ketone;
erythromycin | |
| vancomycin | [no description available] | medium | 2 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
| ibufenac | [no description available] | medium | 2 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| 2,3,7,8-tetrachlorodibenzodioxine | [no description available] | medium | 1 | 0 | polychlorinated dibenzodioxine | |
| paraquat | [no description available] | medium | 2 | 0 | organic cation | geroprotector;
herbicide |
| stavudine | [no description available] | medium | 2 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| streptomycin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
| cladribine | [no description available] | medium | 2 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
| ethylene dimethanesulfonate | [no description available] | medium | 2 | 0 | | |
| beclomethasone dipropionate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester | anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug |
| vidarabine | [no description available] | medium | 2 | 0 | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic |
| carbendazim | [no description available] | medium | 2 | 0 | benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent |
| ethionine | [no description available] | medium | 2 | 0 | S-ethylhomocysteine | antimetabolite;
carcinogenic agent |
| ursodeoxycholic acid | [no description available] | medium | 2 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| butylated hydroxytoluene | [no description available] | medium | 2 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
| amoxicillin | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| moricizine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
| pirprofen | [no description available] | medium | 2 | 0 | pyrroline | |
| serentil | [no description available] | medium | 2 | 0 | organosulfonate salt | dopaminergic antagonist;
first generation antipsychotic |
| tobramycin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin |
| ticrynafen | [no description available] | medium | 2 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes | antihypertensive agent;
hepatotoxic agent;
loop diuretic |
| bezafibrate | [no description available] | medium | 2 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| sq-11725 | [no description available] | medium | 2 | 0 | | |
| nonachlazine | [no description available] | medium | 1 | 0 | | |
| benoxaprofen | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes | antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| permethrin | [no description available] | medium | 2 | 0 | cyclopropanecarboxylate ester;
cyclopropanes | agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide |
| epirubicin | [no description available] | medium | 2 | 0 | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| indacrinone | [no description available] | medium | 2 | 0 | | |
| paroxetine | [no description available] | medium | 2 | 0 | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| butoconazole nitrate | [no description available] | medium | 2 | 0 | aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt | |
| cefadroxil anhydrous | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
| fialuridine | [no description available] | medium | 2 | 0 | | |
| mitoxantrone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
| cefotetan | [no description available] | medium | 2 | 0 | | |
| bambuterol | [no description available] | medium | 2 | 0 | carbamate ester;
phenylethanolamines | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent |
| quinapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| alpidem | [no description available] | medium | 2 | 0 | imidazoles | |
| temafloxacin | [no description available] | medium | 2 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound | |
| clinafloxacin | [no description available] | medium | 2 | 0 | quinolines | |
| zileuton | [no description available] | medium | 2 | 0 | 1-benzothiophenes;
ureas | anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug |
| mibefradil | [no description available] | medium | 2 | 0 | tetralins | T-type calcium channel blocker |
| bromfenac | [no description available] | medium | 2 | 0 | aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| lamivudine | [no description available] | medium | 2 | 0 | monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol | allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| valsartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| tasosartan | [no description available] | medium | 2 | 0 | biphenyls | |
| saquinavir monomethanesulfonate | [no description available] | medium | 2 | 0 | organic molecular entity | |
| allyl formate | [no description available] | medium | 2 | 0 | | |
| desferrioxamine b mesylate | [no description available] | medium | 2 | 0 | methanesulfonate salt | antidote;
ferroptosis inhibitor;
iron chelator |
| trovafloxacin | [no description available] | medium | 2 | 0 | | |
| ciprofloxacin hydrochloride anhydrous | [no description available] | medium | 2 | 0 | hydrochloride | antibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| iopamidol | [no description available] | medium | 2 | 0 | benzenedicarboxamide;
organoiodine compound;
pentol | environmental contaminant;
radioopaque medium;
xenobiotic |
| sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 2 | 0 | conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt | |
| telmisartan | [no description available] | medium | 2 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
| trimethobenzamide monohydrochloride | [no description available] | medium | 2 | 0 | | |
| econazole nitrate | [no description available] | medium | 2 | 0 | | |
| sertraline | [no description available] | medium | 2 | 0 | dichlorobenzene;
secondary amino compound;
tetralins | antidepressant;
serotonin uptake inhibitor |
| flunoxaprofen | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound | antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| tianeptine | [no description available] | medium | 2 | 0 | dibenzothiazepine;
monocarboxylic acid;
organochlorine compound | |
| grepafloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic | |
| 2-naphthylisothiocyanate | [no description available] | medium | 2 | 0 | | |
| rosiglitazone | [no description available] | medium | 2 | 0 | aminopyridine;
thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug |
| chloroquine diphosphate | [no description available] | medium | 2 | 0 | | |
| orphenadrine citrate | [no description available] | medium | 2 | 0 | citrate salt | H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| clarithromycin | [no description available] | medium | 2 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic |
| n-(3,5-dichlorophenyl)succinimide | [no description available] | medium | 2 | 0 | pyrrolidines | |
| 1-cyano-2-hydroxy-3-butene | [no description available] | medium | 1 | 0 | secondary alcohol | |
| bosentan anhydrous | [no description available] | medium | 2 | 0 | primary alcohol;
pyrimidines;
sulfonamide | antihypertensive agent;
endothelin receptor antagonist |
| dilevalol | [no description available] | medium | 1 | 0 | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | |
| levofloxacin | [no description available] | medium | 2 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| naproxen | [no description available] | medium | 2 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| biotin | [no description available] | medium | 2 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
| aflatoxin b1 | [no description available] | medium | 2 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite |
| troleandomycin | [no description available] | medium | 2 | 0 | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic |
| fludrocortisone acetate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
fluorinated steroid;
mineralocorticoid;
tertiary alpha-hydroxy ketone | |
| acivicin | [no description available] | medium | 2 | 0 | isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite |
| ritonavir | [no description available] | medium | 4 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| glucosamine | [no description available] | medium | 2 | 0 | D-glucosamine | Escherichia coli metabolite;
geroprotector;
mouse metabolite |
| puromycin | [no description available] | medium | 2 | 0 | puromycins | antiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor |
| (+)-limonene | [no description available] | medium | 2 | 0 | limonene | plant metabolite |
| quinidine | [no description available] | medium | 2 | 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 |
| griseofulvin | [no description available] | medium | 2 | 0 | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite |
| cefoxitin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative | antibacterial drug |
| moxalactam disodium | [no description available] | medium | 2 | 0 | | |
| abacavir | [no description available] | medium | 2 | 0 | 2,6-diaminopurines | antiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor |
| mometasone furoate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester | anti-allergic agent;
anti-inflammatory drug |
| erythromycin estolate | [no description available] | medium | 2 | 0 | aminoglycoside sulfate salt;
erythromycin derivative | enzyme inhibitor |
| kanamycin sulfate | [no description available] | medium | 2 | 0 | aminoglycoside sulfate salt | antibacterial drug;
geroprotector |
| chloramphenicol palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester | |
| calcium pantothenate | [no description available] | medium | 2 | 0 | polymer | |
| doxorubicin hydrochloride | [no description available] | medium | 2 | 0 | anthracycline | |
| maleic acid | [no description available] | medium | 2 | 0 | butenedioic acid | algal metabolite;
mouse metabolite;
plant metabolite |
| cyanoginosin lr | [no description available] | medium | 2 | 0 | microcystin | bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic |
| cerivastatin | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic) | |
| zithromax | [no description available] | medium | 2 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| drf 2725 | [no description available] | medium | 2 | 0 | | |
| dactinomycin | [no description available] | medium | 2 | 0 | actinomycin | mutagen |
| azaserine | [no description available] | medium | 2 | 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 |
| sodium bicarbonate | [no description available] | medium | 1 | 0 | one-carbon compound;
organic sodium salt | antacid;
food anticaking agent |
| arsenic trioxide | [no description available] | medium | 2 | 0 | arsenic oxide | antineoplastic agent;
insecticide |
| idarubicin hydrochloride | [no description available] | medium | 2 | 0 | anthracycline | |
| carbenoxolone sodium | [no description available] | medium | 2 | 0 | triterpenoid | |
| mercaptopurine | [no description available] | medium | 2 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| thiothixene | [no description available] | medium | 2 | 0 | N-methylpiperazine | anticoronaviral agent |
| methimazole | [no description available] | medium | 2 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
| capsaicin | [no description available] | medium | 2 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| thioguanine anhydrous | [no description available] | medium | 2 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| thioacetamide | [no description available] | medium | 2 | 0 | thiocarboxamide | hepatotoxic agent |
| digoxin | [no description available] | medium | 2 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| streptozocin | [no description available] | medium | 2 | 0 | | |
| tamoxifen | [no description available] | medium | 2 | 0 | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator |
| hmr 3647 | [no description available] | medium | 2 | 0 | | |
| quinine | [no description available] | medium | 2 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
| tolcapone | [no description available] | medium | 2 | 0 | 2-nitrophenols;
benzophenones;
catechols | antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| retinol palmitate | [no description available] | medium | 2 | 0 | all-trans-retinyl ester;
retinyl palmitate | antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite |
| vitamin d 2 | [no description available] | medium | 2 | 0 | hydroxy seco-steroid;
seco-ergostane;
vitamin D | bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide |
| amphotericin b | [no description available] | medium | 2 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| eprosartan | [no description available] | medium | 2 | 0 | dicarboxylic acid;
imidazoles;
thiophenes | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| montelukast | [no description available] | medium | 2 | 0 | aliphatic sulfide;
monocarboxylic acid;
quinolines | anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist |
| entacapone | [no description available] | medium | 2 | 0 | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| estradiol-17 beta-glucuronide | [no description available] | medium | 2 | 0 | 3-hydroxy steroid;
steroid glucosiduronic acid | |
| acitretin | [no description available] | medium | 2 | 0 | acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid | keratolytic drug |
| ly 163892 | [no description available] | medium | 2 | 0 | carbacephem;
zwitterion | antibacterial drug;
antimicrobial agent |
| nalmefene | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
| furazolidone | [no description available] | medium | 2 | 0 | | |
| fluvoxamine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant;
anxiolytic drug;
serotonin uptake inhibitor |
| octylmethoxycinnamate | [no description available] | medium | 2 | 0 | cinnamate ester | |
| 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 |
| lisinopril | [no description available] | medium | 2 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| benazepril | [no description available] | medium | 2 | 0 | benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| trientine hydrochloride | [no description available] | medium | 2 | 0 | | |
| ceftazidime | [no description available] | medium | 2 | 0 | cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
| aztreonam | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen;
monobactam | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
| enclomiphene citrate | [no description available] | medium | 1 | 0 | | |
| diphenoxylate hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidiarrhoeal drug |
| ergonovine maleate | [no description available] | medium | 2 | 0 | maleate salt | diagnostic agent;
oxytocic |
| nitrofurantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
| ursodoxicoltaurine | [no description available] | medium | 1 | 0 | bile acid taurine conjugate | anti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent |
| molindone hydrochloride | [no description available] | medium | 2 | 0 | indoles | |
| gentamicin sulfate | [no description available] | medium | 1 | 0 | | |
| baci-im | [no description available] | medium | 2 | 0 | homodetic cyclic peptide;
polypeptide;
zwitterion | antibacterial agent;
antimicrobial agent |
| cytidine diphosphate choline | [no description available] | medium | 2 | 0 | nucleotide-(amino alcohol)s;
phosphocholines | human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite |
| clindamycin hydrochloride | [no description available] | medium | 2 | 0 | S-glycosyl compound | |
| cefotiam hydrochloride | [no description available] | medium | 2 | 0 | | |
| potassium aminobenzoate | [no description available] | medium | 2 | 0 | | |
| methicillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
| nafcillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
| penicillin g sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
| cefamandole nafate | [no description available] | medium | 2 | 0 | organic sodium salt | antibacterial drug |
| dicloxacillin sodium | [no description available] | medium | 2 | 0 | hydrate | |
| azlocillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
| ascorbic acid | [no description available] | medium | 2 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| novobiocin | [no description available] | medium | 2 | 0 | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent |
| tetracycline | [no description available] | medium | 2 | 0 | | |
| acenocoumarol | [no description available] | medium | 2 | 0 | C-nitro compound;
hydroxycoumarin;
methyl ketone | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
| isoxicam | [no description available] | medium | 2 | 0 | benzothiazine;
isoxazoles;
monocarboxylic acid amide | antirheumatic drug;
non-steroidal anti-inflammatory drug |
| warfarin | [no description available] | medium | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| chlortetracycline hydrochloride | [no description available] | medium | 2 | 0 | | |
| methacycline monohydrochloride | [no description available] | medium | 3 | 0 | | |
| folic acid | [no description available] | medium | 2 | 0 | folic acids;
N-acyl-amino acid | human metabolite;
mouse metabolite;
nutrient |
| rifampin | [no description available] | medium | 2 | 0 | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor |
| dacarbazine | [no description available] | medium | 2 | 0 | dacarbazine | |
| didanosine | [no description available] | medium | 2 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor |
| citrovorum factor | [no description available] | medium | 2 | 0 | tetrahydrofolic acid | |
| rifabutin | [no description available] | medium | 2 | 0 | | |
| 4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen;
metabolite |
| celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| clomiphene | [no description available] | medium | 1 | 0 | tertiary amine | estrogen antagonist;
estrogen receptor modulator |
| sulfobromophthalein | [no description available] | medium | 1 | 0 | 2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols | dye |
| telenzepine | [no description available] | medium | 1 | 0 | benzodiazepine | |
| temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug |
| diquat | [no description available] | medium | 1 | 0 | organic cation | defoliant;
herbicide |
| n-pentanoic acid | [no description available] | medium | 1 | 0 | short-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
| lovastatin | [no description available] | medium | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| tolrestat | [no description available] | medium | 1 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| simvastatin | [no description available] | medium | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug |
| gefitinib | [no description available] | medium | 1 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| cox 189 | [no description available] | medium | 1 | 0 | amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| olmesartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent |
| lapatinib | [no description available] | medium | 3 | 0 | furans;
organochlorine compound;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor |
| taurolithocholic acid | [no description available] | medium | 1 | 0 | bile acid taurine conjugate;
monocarboxylic acid amide | human metabolite |
| topiramate | [no description available] | medium | 1 | 0 | cyclic ketal;
ketohexose derivative;
sulfamate ester | anticonvulsant;
sodium channel blocker |
| (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
indoles;
organofluorine compound | |
| indinavir sulfate | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt | |
| ximelagatran | [no description available] | medium | 1 | 0 | amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor |
| ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| 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 |
| sudoxicam | [no description available] | medium | 1 | 0 | | |
| jtv519 | [no description available] | medium | 2 | 0 | | |
| alprazolam | [no description available] | medium | 2 | 0 | organochlorine compound;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic |
| dan 2163 | [no description available] | medium | 2 | 0 | aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone | environmental contaminant;
second generation antipsychotic;
xenobiotic |
| amlexanox | [no description available] | medium | 2 | 0 | monocarboxylic acid;
pyridochromene | anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug |
| bisindolylmaleimide i | [no description available] | medium | 2 | 0 | | |
| bufexamac | [no description available] | medium | 2 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| cadralazine | [no description available] | medium | 2 | 0 | organic molecular entity | |
| carvedilol | [no description available] | medium | 2 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
| cetirizine | [no description available] | medium | 2 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| chlorcyclizine | [no description available] | medium | 2 | 0 | diarylmethane | |
| ci 994 | [no description available] | medium | 2 | 0 | acetamides;
benzamides;
substituted aniline | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| fenbendazole | [no description available] | medium | 2 | 0 | aryl sulfide;
benzimidazoles;
carbamate ester | antinematodal drug |
| go 6976 | [no description available] | medium | 2 | 0 | indolocarbazole;
organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
| homochlorocyclizine | [no description available] | medium | 2 | 0 | diarylmethane | |
| hydroxyzine | [no description available] | medium | 2 | 0 | hydroxyether;
monochlorobenzenes;
N-alkylpiperazine | anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist |
| 1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | [no description available] | medium | 2 | 0 | naphthalenes | |
| ketamine | [no description available] | medium | 2 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
| mephenesin | [no description available] | medium | 2 | 0 | aromatic ether;
glycerol ether | |
| 4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine | [no description available] | medium | 2 | 0 | | |
| pimobendan | [no description available] | medium | 2 | 0 | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| ag 1879 | [no description available] | medium | 2 | 0 | aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine | beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
| ro 31-8220 | [no description available] | medium | 2 | 0 | imidothiocarbamic ester;
indoles;
maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| ropinirole | [no description available] | medium | 2 | 0 | indolones;
tertiary amine | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist |
| vorinostat | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| zotepine | [no description available] | medium | 2 | 0 | dibenzothiepine;
tertiary amino compound | alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug |
| benziodarone | [no description available] | medium | 2 | 0 | aromatic ketone | |
| trehalose | [no description available] | medium | 2 | 0 | trehalose | Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| triclocarban | [no description available] | medium | 2 | 0 | dichlorobenzene;
monochlorobenzenes;
phenylureas | antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic |
| 4-tert-octylphenol | [no description available] | medium | 2 | 0 | alkylbenzene | |
| methysergide | [no description available] | medium | 2 | 0 | ergoline alkaloid | |
| emetine | [no description available] | medium | 2 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
| etonitazene | [no description available] | medium | 2 | 0 | | |
| clothiapine | [no description available] | medium | 2 | 0 | dibenzothiazepine | |
| benperidol | [no description available] | medium | 2 | 0 | aromatic ketone | |
| 7-hydroxychlorpromazine | [no description available] | medium | 2 | 0 | phenothiazines | |
| thenalidine | [no description available] | medium | 2 | 0 | dialkylarylamine;
tertiary amino compound | |
| dexchlorpheniramine | [no description available] | medium | 2 | 0 | chlorphenamine | |
| dv 1006 | [no description available] | medium | 2 | 0 | | |
| climbazole | [no description available] | medium | 2 | 0 | aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes | |
| triadimenol | [no description available] | medium | 2 | 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 |
| amonafide | [no description available] | medium | 2 | 0 | isoquinolines | |
| flupirtine | [no description available] | medium | 2 | 0 | aminopyridine | |
| chaetochromin | [no description available] | medium | 2 | 0 | | |
| aripiprazole | [no description available] | medium | 2 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist |
| aloxistatin | [no description available] | medium | 1 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
| indocate | [no description available] | medium | 2 | 0 | | |
| N(4)-acetylsulfathiazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles;
acetamides;
sulfonamide | marine xenobiotic metabolite |
| 2,3-trimethylene-4-quinazolone | [no description available] | medium | 2 | 0 | quinazolines | |
| 1,3-dimethyluric acid | [no description available] | medium | 2 | 0 | oxopurine | metabolite |
| danofloxacin | [no description available] | medium | 2 | 0 | quinolines | |
| nitrefazole | [no description available] | medium | 2 | 0 | imidazoles | |
| methotrimeprazine | [no description available] | medium | 2 | 0 | phenothiazines;
tertiary amine | anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| honokiol | [no description available] | medium | 2 | 0 | biphenyls | |
| 9-methoxyellipticine | [no description available] | medium | 2 | 0 | | |
| 3-aminophenoxazone | [no description available] | medium | 2 | 0 | phenoxazine | |
| 3-deazaneplanocin | [no description available] | medium | 2 | 0 | | |
| tryptanthrine | [no description available] | medium | 2 | 0 | alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
| 2-chlorodiazepam | [no description available] | medium | 2 | 0 | | |
| Polycartine B | [no description available] | medium | 2 | 0 | phenazines | |
| aminoquinuride dihydrochloride | [no description available] | medium | 2 | 0 | | |
| thioproperazine mesylate | [no description available] | medium | 2 | 0 | phenothiazines | |
| n(6)-(delta(2)-isopentenyl)adenine | [no description available] | medium | 2 | 0 | 6-isopentenylaminopurine | cytokinin |
| 4-methyl-N-(phenylmethyl)benzenesulfonamide | [no description available] | medium | 2 | 0 | sulfonamide | |
| sr141716 | [no description available] | medium | 2 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist |
| fingolimod | [no description available] | medium | 2 | 0 | aminodiol;
primary amino compound | antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist |
| tesmilifene | [no description available] | medium | 2 | 0 | diarylmethane | |
| sr 27897 | [no description available] | medium | 2 | 0 | indolyl carboxylic acid | |
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 2 | 0 | leucine derivative | |
| norketamine | [no description available] | medium | 2 | 0 | organochlorine compound | |
| indatraline | [no description available] | medium | 2 | 0 | indanes | |
| salvinorin a | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organooxygen compound | metabolite;
oneirogen |
| 4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide | [no description available] | medium | 2 | 0 | | |
| dx 8951 | [no description available] | medium | 2 | 0 | pyranoindolizinoquinoline | |
| tipifarnib | [no description available] | medium | 2 | 0 | imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| avasimibe | [no description available] | medium | 2 | 0 | monoterpenoid | |
| l 163191 | [no description available] | medium | 2 | 0 | | |
| dizocilpine | [no description available] | medium | 2 | 0 | secondary amino compound;
tetracyclic antidepressant | anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist |
| s-benzylcysteine | [no description available] | medium | 2 | 0 | S-aryl-L-cysteine zwitterion | |
| chelidonine | [no description available] | medium | 2 | 0 | alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid | |
| roxindole | [no description available] | medium | 2 | 0 | indoles | alpha-adrenergic antagonist;
serotonergic drug |
| conidendrin | [no description available] | medium | 2 | 0 | | |
| Porfiromycine | [no description available] | medium | 2 | 0 | mitomycin | |
| 4-methyl-2-quinazolinamine | [no description available] | medium | 2 | 0 | | |
| 2-glycineamide-5-chlorophenyl-2-pyrryl ketone | [no description available] | medium | 2 | 0 | | |
| niguldipine hydrochloride | [no description available] | medium | 2 | 0 | | |
| 2,5-bis(5-hydroxymethyl-2-thienyl)furan | [no description available] | medium | 2 | 0 | thiophenes | |
| bardoxolone methyl | [no description available] | medium | 1 | 0 | cyclohexenones | |
| Destruxin B | [no description available] | medium | 2 | 0 | cyclodepsipeptide | |
| trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector |
| sitafloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic | |
| 2'-c-methylcytidine | [no description available] | medium | 2 | 0 | | |
| jp-1302 | [no description available] | medium | 2 | 0 | | |
| 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one | [no description available] | medium | 2 | 0 | benzodiazepine | |
| tenatoprazole | [no description available] | medium | 2 | 0 | imidazopyridine | |
| s 1033 | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| 5-[(2-fluoroanilino)methyl]-8-quinolinol | [no description available] | medium | 2 | 0 | hydroxyquinoline | |
| benidipine | [no description available] | medium | 1 | 0 | | |
| 2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one | [no description available] | medium | 2 | 0 | quinazolines | |
| chlorprothixene | [no description available] | medium | 2 | 0 | chlorprothixene | |
| jrf 12 | [no description available] | medium | 2 | 0 | | |
| 5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester | [no description available] | medium | 2 | 0 | methoxybenzenes;
substituted aniline | |
| 3-hydroxypyridine, sodium salt | [no description available] | medium | 2 | 0 | | |
| N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | [no description available] | medium | 2 | 0 | naphthalenecarboxamide | |
| 5-[(2-bromoanilino)methyl]-8-quinolinol | [no description available] | medium | 2 | 0 | hydroxyquinoline | |
| 3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide | [no description available] | medium | 2 | 0 | | |
| N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline | [no description available] | medium | 2 | 0 | aromatic amine | |
| 1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide | [no description available] | medium | 2 | 0 | piperidinecarboxamide | |
| 5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol | [no description available] | medium | 2 | 0 | hydroxyquinoline | |
| N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide | [no description available] | medium | 2 | 0 | acetamides;
anilide | |
| 5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide | [no description available] | medium | 2 | 0 | aromatic amide;
thiophenes | |
| 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone | [no description available] | medium | 2 | 0 | dimethoxybenzene | |
| N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide | [no description available] | medium | 2 | 0 | aromatic amide | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | medium | 2 | 0 | aromatic ether | |
| 3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione | [no description available] | medium | 2 | 0 | maleimides | |
| Src Inhibitor-1 | [no description available] | medium | 2 | 0 | aromatic ether;
polyether;
quinazolines;
secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one | [no description available] | medium | 2 | 0 | dimethoxybenzene | |
| 2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide | [no description available] | medium | 2 | 0 | quinolines | |
| 3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | [no description available] | medium | 2 | 0 | pyrroles | |
| bi-78d3 | [no description available] | medium | 2 | 0 | aryl sulfide | |
| kartogenin | [no description available] | medium | 2 | 0 | | |
| toremifene | [no description available] | medium | 1 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| vx-745 | [no description available] | medium | 2 | 0 | aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine | anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| dasatinib | [no description available] | medium | 2 | 0 | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| zd 6474 | [no description available] | medium | 2 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
| N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | [no description available] | medium | 2 | 0 | indoles | |
| nih-12848 | [no description available] | medium | 2 | 0 | | |
| 2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide | [no description available] | medium | 2 | 0 | quinazolines | |
| [1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone | [no description available] | medium | 2 | 0 | benzimidazoles | |
| 2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile | [no description available] | medium | 2 | 0 | imidazopyridine | |
| 3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | [no description available] | medium | 2 | 0 | aromatic ketone | |
| 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester | [no description available] | medium | 2 | 0 | oxopurine | |
| N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester | [no description available] | medium | 2 | 0 | organonitrogen compound;
organosulfur compound | |
| 6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide | [no description available] | medium | 2 | 0 | quinolines | |
| LSM-1924 | [no description available] | medium | 2 | 0 | organic heterotricyclic compound;
organooxygen compound | |
| ferrostatin-1 | [no description available] | medium | 2 | 0 | ethyl ester;
primary arylamine;
substituted aniline | antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger |
| 6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine | [no description available] | medium | 2 | 0 | C-nitro compound | |
| rabeprazole(1-) | [no description available] | medium | 2 | 0 | organic nitrogen anion | |
| ncgc00099374 | [no description available] | medium | 2 | 0 | | |
| 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide | [no description available] | medium | 2 | 0 | benzamides | |
| cyclosporine | [no description available] | medium | 1 | 0 | | |
| kaempferol | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
| mycophenolate mofetil | [no description available] | medium | 2 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
| bruceantin | [no description available] | medium | 2 | 0 | triterpenoid | |
| chrysin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
| neticonazole | [no description available] | medium | 2 | 0 | aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide | antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
| N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine | [no description available] | medium | 2 | 0 | endocannabinoid;
N-acylethanolamine 22:6 | |
| alpha-zearalenol | [no description available] | medium | 2 | 0 | macrolide | |
| su 9516 | [no description available] | medium | 2 | 0 | | |
| N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
| sb 277011 | [no description available] | medium | 2 | 0 | | |
| sb 223412 | [no description available] | medium | 2 | 0 | | |
| sr 59230a | [no description available] | medium | 2 | 0 | tetralins | |
| 3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide | [no description available] | medium | 2 | 0 | pyrimidines | |
| kn 62 | [no description available] | medium | 2 | 0 | piperazines | |
| MeJA | [no description available] | medium | 2 | 0 | Jasmonate derivatives | |
| 1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- | [no description available] | medium | 2 | 0 | | |
| pd 161570 | [no description available] | medium | 2 | 0 | | |
| palbociclib | [no description available] | medium | 2 | 0 | aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| jnj-7706621 | [no description available] | medium | 2 | 0 | sulfonamide | |
| virginiamycin factor s1 | [no description available] | medium | 2 | 0 | cyclodepsipeptide;
macrolide antibiotic | antibacterial drug;
bacterial metabolite |
| xib 4035 | [no description available] | medium | 2 | 0 | | |
| gw-5074 | [no description available] | medium | 1 | 0 | | |
| belotecan | [no description available] | medium | 2 | 0 | pyranoindolizinoquinoline | |
| norgestimate | [no description available] | medium | 2 | 0 | ketoxime;
steroid ester;
terminal acetylenic compound | contraceptive drug;
progestin;
synthetic oral contraceptive |
| 4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine | [no description available] | medium | 2 | 0 | | |
| methiazole | [no description available] | medium | 2 | 0 | benzimidazoles;
carbamate ester | |
| bvt.948 | [no description available] | medium | 2 | 0 | | |
| fk 866 | [no description available] | medium | 1 | 0 | benzamides;
N-acylpiperidine | |
| parthenolide | [no description available] | medium | 1 | 0 | sesquiterpene lactone | drug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| krn 633 | [no description available] | medium | 2 | 0 | | |
| 5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid | [no description available] | medium | 2 | 0 | organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
| gw 501516 | [no description available] | medium | 2 | 0 | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist |
| dolastatin 10 | [no description available] | medium | 2 | 0 | 1,3-thiazoles;
tetrapeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent |
| spc-839 | [no description available] | medium | 2 | 0 | | |
| midostaurin | [no description available] | medium | 2 | 0 | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| valnemulin | [no description available] | medium | 2 | 0 | | |
| nu 7026 | [no description available] | medium | 2 | 0 | organic heterotricyclic compound;
organooxygen compound | |
| osi 930 | [no description available] | medium | 2 | 0 | aromatic amide | |
| ticagrelor | [no description available] | medium | 2 | 0 | aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines | P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| l 692585 | [no description available] | medium | 2 | 0 | peptide | |
| pi103 | [no description available] | medium | 2 | 0 | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| nnc 26-9100 | [no description available] | medium | 2 | 0 | aminopyridine | |
| 2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine | [no description available] | medium | 2 | 0 | | |
| tivozanib | [no description available] | medium | 2 | 0 | aromatic ether | |
| hki 272 | [no description available] | medium | 1 | 0 | nitrile;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | [no description available] | medium | 2 | 0 | | |
| tae226 | [no description available] | medium | 2 | 0 | morpholines | |
| gw0742 | [no description available] | medium | 2 | 0 | monocarboxylic acid | |
| u 18666a | [no description available] | medium | 2 | 0 | hydrochloride | antiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor |
| sb 525334 | [no description available] | medium | 2 | 0 | quinoxaline derivative | |
| bx795 | [no description available] | medium | 2 | 0 | ureas | |
| azd 6244 | [no description available] | medium | 2 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea | [no description available] | medium | 2 | 0 | | |
| bay 61-3606 | [no description available] | medium | 2 | 0 | pyrimidines | |
| sd-208 | [no description available] | medium | 2 | 0 | | |
| crenolanib | [no description available] | medium | 2 | 0 | aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| cj 033466 | [no description available] | medium | 2 | 0 | | |
| cc 401 | [no description available] | medium | 2 | 0 | pyrazoles;
ring assembly | |
| PB28 | [no description available] | medium | 2 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
| arterolane | [no description available] | medium | 2 | 0 | | |
| cariprazine | [no description available] | medium | 2 | 0 | | |
| krp-203 | [no description available] | medium | 2 | 0 | | |
| regorafenib | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor |
| at 7867 | [no description available] | medium | 2 | 0 | monochlorobenzenes;
piperidines;
pyrazoles | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester | [no description available] | medium | 2 | 0 | pyrroloquinoline | |
| ptc 124 | [no description available] | medium | 2 | 0 | oxadiazole;
ring assembly | |
| degrasyn | [no description available] | medium | 2 | 0 | | |
| bi 2536 | [no description available] | medium | 2 | 0 | | |
| azd 1152 | [no description available] | medium | 2 | 0 | anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor;
prodrug |
| carfilzomib | [no description available] | medium | 2 | 0 | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor |
| idelalisib | [no description available] | medium | 2 | 0 | aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| motesanib | [no description available] | medium | 2 | 0 | pyridinecarboxamide | |
| pf-562,271 | [no description available] | medium | 2 | 0 | indoles | |
| gliocladin c | [no description available] | medium | 2 | 0 | | |
| sb 706504 | [no description available] | medium | 2 | 0 | | |
| ku-0060648 | [no description available] | medium | 2 | 0 | dibenzothiophenes | |
| bgt226 | [no description available] | medium | 2 | 0 | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| n-desmethyldanofloxacin | [no description available] | medium | 2 | 0 | | |
| azd 1152-hqpa | [no description available] | medium | 2 | 0 | anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor |
| CDN1163 | [no description available] | medium | 2 | 0 | aromatic ether;
quinolines;
secondary carboxamide | SERCA activator |
| gsk 269962a | [no description available] | medium | 2 | 0 | | |
| pha 848125 | [no description available] | medium | 2 | 0 | | |
| nvp-bhg712 | [no description available] | medium | 2 | 0 | benzamides | |
| pf 04217903 | [no description available] | medium | 2 | 0 | quinolines | |
| 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one | [no description available] | medium | 2 | 0 | aromatic ketone | |
| ph 797804 | [no description available] | medium | 2 | 0 | aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone | anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| srt1720 | [no description available] | medium | 2 | 0 | | |
| purfalcamine | [no description available] | medium | 2 | 0 | | |
| bms 754807 | [no description available] | medium | 2 | 0 | pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| ponatinib | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine | antineoplastic agent;
tyrosine kinase inhibitor |
| quizartinib | [no description available] | medium | 2 | 0 | benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor |
| PP121 | [no description available] | medium | 2 | 0 | aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor |
| navitoclax | [no description available] | medium | 2 | 0 | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| gsk 650394 | [no description available] | medium | 2 | 0 | phenylpyridine | |
| dcc-2036 | [no description available] | medium | 2 | 0 | organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines | tyrosine kinase inhibitor |
| cabozantinib | [no description available] | medium | 2 | 0 | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| TAK-580 | [no description available] | medium | 2 | 0 | 1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor |
| 8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one | [no description available] | medium | 2 | 0 | chromones | |
| pf 3758309 | [no description available] | medium | 2 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | [no description available] | medium | 2 | 0 | benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
mTOR inhibitor |
| 5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 2 | 0 | aryl sulfide;
thienopyrimidine | |
| 5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 2 | 0 | aryl sulfide;
thienopyrimidine | |
| 5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 2 | 0 | aryl sulfide;
thienopyrimidine | |
| baricitinib | [no description available] | medium | 2 | 0 | azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide | anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent |
| 6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine | [no description available] | medium | 2 | 0 | quinazolines | |
| 6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone | [no description available] | medium | 2 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
| N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide | [no description available] | medium | 2 | 0 | hydroxyquinoline | |
| p505-15 | [no description available] | medium | 2 | 0 | | |
| mrt67307 | [no description available] | medium | 2 | 0 | aromatic amine | |
| N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide | [no description available] | medium | 2 | 0 | piperazines | |
| ribociclib | [no description available] | medium | 2 | 0 | | |
| 1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone | [no description available] | medium | 2 | 0 | aromatic ketone;
thienopyrimidine | |
| pha 793887 | [no description available] | medium | 2 | 0 | piperidinecarboxamide | |
| gsk 2334470 | [no description available] | medium | 1 | 0 | indazoles | |
| ml228 probe | [no description available] | medium | 2 | 0 | 1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound | hypoxia-inducible factor pathway activator |
| pf-03882845 | [no description available] | medium | 2 | 0 | | |
| jq1 compound | [no description available] | medium | 2 | 0 | carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer |
| pf-04620110 | [no description available] | medium | 2 | 0 | | |
| gsk525762a | [no description available] | medium | 2 | 0 | benzodiazepine | |
| birinapant | [no description available] | medium | 1 | 0 | dipeptide | |
| torin 1 | [no description available] | medium | 2 | 0 | N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines | antineoplastic agent;
mTOR inhibitor |
| abt-199 | [no description available] | medium | 2 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea | [no description available] | medium | 2 | 0 | ureas | |
| N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes | |
| ncgc00242364 | [no description available] | medium | 2 | 0 | quinazolines | |
| gsk1210151a | [no description available] | medium | 2 | 0 | imidazoquinoline | |
| hs-173 | [no description available] | medium | 2 | 0 | | |
| sr1664 | [no description available] | medium | 2 | 0 | indolecarboxamide | |
| 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide | [no description available] | medium | 2 | 0 | | |
| cudc-907 | [no description available] | medium | 2 | 0 | | |
| methacycline | [no description available] | medium | 1 | 0 | | |
| 2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid | [no description available] | medium | 2 | 0 | quinolines | |
| agi-5198 | [no description available] | medium | 2 | 0 | | |
| cep-32496 | [no description available] | medium | 2 | 0 | | |
| epz004777 | [no description available] | medium | 2 | 0 | N-glycosyl compound | |
| 3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid | [no description available] | medium | 2 | 0 | organonitrogen heterocyclic compound | |
| entecavir | [no description available] | medium | 2 | 0 | benzamides;
N-acylpiperidine | |
| gkt137831 | [no description available] | medium | 2 | 0 | | |
| vx-509 | [no description available] | medium | 2 | 0 | | |
| vx-970 | [no description available] | medium | 2 | 0 | sulfonamide | |
| gs-9973 | [no description available] | medium | 2 | 0 | | |
| amg 925 | [no description available] | medium | 2 | 0 | | |
| gne-618 | [no description available] | medium | 2 | 0 | | |
| g007-lk | [no description available] | medium | 2 | 0 | | |
| volitinib | [no description available] | medium | 2 | 0 | | |
| ML355 | [no description available] | medium | 2 | 0 | benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor |
| acp-196 | [no description available] | medium | 2 | 0 | aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| gsk343 | [no description available] | medium | 2 | 0 | aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
| agi-6780 | [no description available] | medium | 2 | 0 | | |
| khs101 | [no description available] | medium | 2 | 0 | | |
| cb-839 | [no description available] | medium | 2 | 0 | | |
| gsk-j4 | [no description available] | medium | 2 | 0 | organonitrogen heterocyclic compound | |
| pf-06424439 | [no description available] | medium | 2 | 0 | | |
| etp-46464 | [no description available] | medium | 2 | 0 | | |
| onc201 | [no description available] | medium | 2 | 0 | | |
| kai407 | [no description available] | medium | 2 | 0 | | |
| 6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine | [no description available] | medium | 2 | 0 | | |
| enasidenib | [no description available] | medium | 2 | 0 | 1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| oicr-9429 | [no description available] | medium | 2 | 0 | | |
| lly-507 | [no description available] | medium | 2 | 0 | | |
| at 9283 | [no description available] | medium | 2 | 0 | | |
| hypoxanthine | [no description available] | medium | 2 | 0 | nucleobase analogue;
oxopurine;
purine nucleobase | fundamental metabolite |
| 1-hydroxyphenazine | [no description available] | medium | 2 | 0 | phenazines | |
| ro 24-7429 | [no description available] | medium | 2 | 0 | benzodiazepine | |
| nintedanib | [no description available] | medium | 2 | 0 | | |
| n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | [no description available] | medium | 2 | 0 | catechols;
hydrazide;
hydrazone;
naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
| ver 52296 | [no description available] | medium | 2 | 0 | aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols | angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor |
| rvx 208 | [no description available] | medium | 2 | 0 | | |
| bmn 673 | [no description available] | medium | 2 | 0 | | |
| 3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | [no description available] | medium | 1 | 0 | indoles | |
| 2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine | [no description available] | medium | 1 | 0 | stilbenoid | |
| cyclizine hydrochloride | [no description available] | medium | 1 | 0 | | |
| (6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide | [no description available] | medium | 1 | 0 | aromatic ketone | |
| benidipine hydrochloride | [no description available] | medium | 1 | 0 | | |
| N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide | [no description available] | medium | 1 | 0 | benzamides;
N-acylpiperidine | |
| N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide | [no description available] | medium | 1 | 0 | aminoquinoline | |
| azelastine | [no description available] | low | 0 | 0 | monochlorobenzenes;
phthalazines;
tertiary amino compound | anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor |
| clenbuterol | [no description available] | low | 0 | 0 | amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| dyphylline | [no description available] | low | 0 | 0 | oxopurine;
propane-1,2-diols | bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent |
| isoproterenol | [no description available] | low | 0 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| khellin | [no description available] | low | 0 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| methoxyphenamine | [no description available] | low | 0 | 0 | amphetamines | beta-adrenergic agonist;
bronchodilator agent |
| terbutaline | [no description available] | low | 0 | 0 | phenylethanolamines;
resorcinols | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent |
| diphemanil methylsulfate | [no description available] | low | 0 | 0 | piperidines;
quaternary ammonium salt | bronchodilator agent;
muscarinic antagonist;
parasympatholytic |
| pseudoephedrine | [no description available] | low | 0 | 0 | phenylethanolamines;
secondary alcohol;
secondary amino compound | anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| colterol | [no description available] | low | 0 | 0 | catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent |
| bitolterol | [no description available] | low | 0 | 0 | carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug |
| doxofylline | [no description available] | low | 0 | 0 | oxopurine | anti-asthmatic drug;
antitussive;
bronchodilator agent |
| azelastine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor |
| bambuterol hydrochloride | [no description available] | low | 0 | 0 | carbamate ester;
hydrochloride;
phenylethanolamines | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent |
| rp 73401 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide | anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor |
| fluticasone propionate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester | adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug |
| arformoterol | [no description available] | low | 0 | 0 | N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent |
| nab-365 | [no description available] | low | 0 | 0 | hydrochloride | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| indacaterol | [no description available] | low | 0 | 0 | indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| vilanterol | [no description available] | low | 0 | 0 | benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| olodaterol | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| aclidinium bromide | [no description available] | low | 0 | 0 | organic bromide salt;
quaternary ammonium salt | bronchodilator agent;
muscarinic antagonist |
| apraclonidine | [no description available] | low | 0 | 0 | dichlorobenzene;
guanidines;
imidazolines | alpha-adrenergic agonist;
antiglaucoma drug;
beta-adrenergic agonist;
diagnostic agent;
ophthalmology drug |
| dobutamine | [no description available] | low | 0 | 0 | catecholamine;
secondary amine | beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent |
| arbutamine | [no description available] | low | 0 | 0 | catecholamine | beta-adrenergic agonist;
cardiotonic drug |
| L-isoprenaline | [no description available] | low | 0 | 0 | catecholamine;
phenylethanolamines | beta-adrenergic agonist;
sympathomimetic agent |
| mirabegron | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aromatic amide;
ethanolamines;
monocarboxylic acid amide | beta-adrenergic agonist |
| solabegron | [no description available] | low | 0 | 0 | carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline | beta-adrenergic agonist |
| acebutolol | [no description available] | low | 0 | 0 | aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent |
| dipivefrin | [no description available] | low | 0 | 0 | ethanolamines;
pivalate ester | adrenergic agonist;
antiglaucoma drug;
ophthalmology drug;
prodrug;
sympathomimetic agent |
| midodrine | [no description available] | low | 0 | 0 | amino acid amide;
aromatic ether;
secondary alcohol | alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent |
| oxymetazoline | [no description available] | low | 0 | 0 | carboxamidine;
imidazolines;
phenols | alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| phenmetrazine | [no description available] | low | 0 | 0 | morpholines | metabolite;
sympathomimetic agent |
| phentermine | [no description available] | low | 0 | 0 | primary amine | adrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent |
| tetrahydrozoline | [no description available] | low | 0 | 0 | carboxamidine;
imidazolines | nasal decongestant;
sympathomimetic agent |
| dextroamphetamine | [no description available] | low | 0 | 0 | 1-phenylpropan-2-amine | adrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent |
| metaraminol | [no description available] | low | 0 | 0 | phenylethanolamines | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent |
| phenylephrine | [no description available] | low | 0 | 0 | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent |
| ephedrine | [no description available] | low | 0 | 0 | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| midodrine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent |
| st 1059 | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
secondary alcohol | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent |
| dipivefrin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | adrenergic agonist;
antiglaucoma drug;
sympathomimetic agent |
| amezinium | [no description available] | low | 0 | 0 | aromatic ether;
primary arylamine;
pyridazinium ion | adrenergic uptake inhibitor;
antihypotensive agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
sympathomimetic agent |
| acebutolol hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent |
| cocaine | [no description available] | low | 0 | 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 |
| benzphetamine | [no description available] | low | 0 | 0 | amphetamines;
tertiary amine | adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent |
| darifenacin hydrobromide | [no description available] | low | 0 | 0 | hydrobromide | muscarinic antagonist |
| N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide | [no description available] | low | 0 | 0 | hydrobromide | dopamine agonist;
prodrug |