| 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 |
| 9-xylosyladenine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
| malic acid | [no description available] | medium | 1 | 0 | 2-hydroxydicarboxylic acid;
C4-dicarboxylic acid | food acidity regulator;
fundamental metabolite |
| phosphonoacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
phosphonic acids | antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
| histamine | [no description available] | medium | 8 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
| naringenin | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones;
trihydroxyflavanone | |
| niacinamide | [no description available] | medium | 1 | 0 | pyridine alkaloid;
pyridinecarboxamide;
vitamin B3 | anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor |
| niacin | [no description available] | medium | 1 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent;
drug metabolite |
| 1,10-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| 1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 1 | 0 | oxopurine | adenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| 2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
| ro 5-4864 | [no description available] | medium | 1 | 0 | | |
| 4-aminopyridine | [no description available] | medium | 1 | 0 | aminopyridine;
aromatic amine | avicide;
orphan drug;
potassium channel blocker |
| phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| 5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
| 5-fluoroindole-2-carboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| etofylline | [no description available] | medium | 1 | 0 | oxopurine | |
| 7-nitroindazole | [no description available] | medium | 1 | 0 | | |
| aa 861 | [no description available] | medium | 1 | 0 | 1,4-benzoquinones;
acetylenic compound;
primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor |
| acetarsol | [no description available] | medium | 1 | 0 | acetamides;
anilide | |
| acetazolamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
| theophylline | [no description available] | medium | 1 | 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 | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor |
| aniracetam | [no description available] | medium | 1 | 0 | N-acylpyrrolidine;
pyrrolidin-2-ones | |
| anisindione | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone | anticoagulant;
vitamin K antagonist |
| astemizole | [no description available] | medium | 1 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
| atenolol | [no description available] | medium | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite |
| bay-k-8644 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester | |
| bendroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls;
imidazoles | |
| bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
| brimonidine | [no description available] | medium | 1 | 0 | imidazoles;
quinoxaline derivative;
secondary amine | adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent |
| bufexamac | [no description available] | medium | 1 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| bumetanide | [no description available] | medium | 1 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| butacaine | [no description available] | medium | 1 | 0 | benzoate ester | |
| butamben | [no description available] | medium | 1 | 0 | amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline | local anaesthetic |
| carbamazepine | [no description available] | medium | 2 | 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 |
| carisoprodol | [no description available] | medium | 1 | 0 | carbamate ester | muscle relaxant |
| 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 |
| chlorpropamide | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| chlorthalidone | [no description available] | medium | 1 | 0 | isoindoles;
monochlorobenzenes;
sulfonamide | |
| chlorzoxazone | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound | muscle relaxant;
sedative |
| 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 | 4 | 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 |
| 4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| dapsone | [no description available] | medium | 1 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
| 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 |
| dibucaine | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic |
| dichlorophen | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
diarylmethane | |
| diflunisal | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| dipyridamole | [no description available] | medium | 1 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| disulfiram | [no description available] | medium | 1 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| 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 |
| dipropizine | [no description available] | medium | 1 | 0 | piperazines | |
| dyphylline | [no description available] | medium | 1 | 0 | oxopurine;
propane-1,2-diols | bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent |
| 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 |
| ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic |
| myambutol | [no description available] | medium | 1 | 0 | amino alcohol | |
| ethoxzolamide | [no description available] | medium | 1 | 0 | aromatic ether;
benzothiazoles;
sulfonamide | antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| 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 | 1 | 0 | carbamate ester | anticonvulsant;
neuroprotective agent |
| 4-biphenylylacetic acid | [no description available] | medium | 1 | 0 | biphenyls;
monocarboxylic acid | non-steroidal anti-inflammatory drug |
| felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid;
biphenyls | non-steroidal anti-inflammatory drug |
| fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| flucytosine | [no description available] | medium | 1 | 0 | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug |
| flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid;
organofluorine compound | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| flumazenil | [no description available] | medium | 1 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic | |
| fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| flurbiprofen | [no description available] | medium | 1 | 0 | fluorobiphenyl;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gemfibrozil | [no description available] | medium | 1 | 0 | aromatic ether | antilipemic drug |
| 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 |
| fluorometholone | [no description available] | medium | 1 | 0 | | |
| 1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 1 | 0 | isoquinolines;
N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
| hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| hexamethylene bisacetamide | [no description available] | medium | 1 | 0 | acetamides | |
| hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
thiazide | antihypertensive agent;
diuretic |
| 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 |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| amrinone | [no description available] | medium | 1 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indapamide | [no description available] | medium | 1 | 0 | indoles;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic |
| indomethacin | [no description available] | high | 19 | 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 |
| indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam;
isoindoles;
monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether;
isoflavones | bone density conservation agent |
| isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
| ketoprofen | [no description available] | medium | 2 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| khellin | [no description available] | medium | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| 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 | 2 | 0 | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| leflunomide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide | antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor |
| 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 |
| ly 171883 | [no description available] | medium | 1 | 0 | acetophenones;
aromatic ether;
phenols;
tetrazoles | anti-asthmatic drug;
leukotriene antagonist |
| edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant;
radical scavenger |
| meclofenamate sodium anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | |
| 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 |
| vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| methazolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thiadiazoles | |
| methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
| moclobemide | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
morpholines | antidepressant;
environmental contaminant;
xenobiotic |
| acecainide | [no description available] | medium | 1 | 0 | acetamides;
benzamides | anti-arrhythmia drug |
| nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene;
methyl ketone | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nialamide | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| nifedipine | [no description available] | medium | 1 | 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 | |
| nimesulide | [no description available] | medium | 1 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester | antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent |
| 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 |
| norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic |
| cm 7116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
| ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| omeprazole | [no description available] | high | 7 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
| perphenazine | [no description available] | medium | 2 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| phenindione | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone | anticoagulant |
| phenolphthalein | [no description available] | medium | 1 | 0 | phenols | |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| phenylbutazone | [no description available] | medium | 1 | 0 | pyrazolidines | antirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| pinacidil | [no description available] | medium | 1 | 0 | pyridines | |
| pipemidic acid | [no description available] | medium | 1 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| 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 | 1 | 0 | isoquinolines | |
| primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| probenecid | [no description available] | medium | 1 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| probucol | [no description available] | medium | 1 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| prochlorperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines | alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic |
| proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
| pyrimethamine | [no description available] | medium | 1 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| pf 5901 | [no description available] | medium | 1 | 0 | quinolines | |
| riluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
| 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 |
| rolipram | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| ronidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
carbamate ester;
imidazoles | antiparasitic agent;
antiprotozoal drug |
| salicylamide | [no description available] | medium | 1 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
| spiperone | [no description available] | medium | 1 | 0 | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist |
| aldactazide | [no description available] | medium | 1 | 0 | steroid lactone | |
| streptonigrin | [no description available] | medium | 1 | 0 | pyridines;
quinolone | antimicrobial agent;
antineoplastic agent |
| sulfabenzamide | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antimicrobial drug |
| sulfacetamide | [no description available] | medium | 1 | 0 | N-sulfonylcarboxamide;
substituted aniline | antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfadimethoxine | [no description available] | medium | 1 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen |
| sulfamethazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
| sulfamethizole | [no description available] | medium | 2 | 0 | sulfonamide antibiotic;
sulfonamide;
thiadiazoles | antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfamethoxazole | [no description available] | medium | 1 | 0 | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic |
| sulfamethoxypyridazine | [no description available] | medium | 1 | 0 | pyridazines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| tegafur | [no description available] | medium | 1 | 0 | organohalogen compound;
pyrimidines | |
| terazosin | [no description available] | medium | 1 | 0 | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
| thiabendazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug |
| tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| tolazamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent;
potassium channel blocker |
| tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
| trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
| trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide antibiotic | antihypertensive agent;
diuretic |
| trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| tyramine | [no description available] | medium | 1 | 0 | monoamine molecular messenger;
primary amino compound;
tyramines | EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter |
| vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
| xylazine | [no description available] | medium | 1 | 0 | 1,3-thiazine;
methylbenzene;
secondary amino compound | alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative |
| zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine;
pyrrolopyrazine | central nervous system depressant;
sedative |
| hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester;
tertiary alpha-hydroxy ketone | |
| oxyphenonium bromide | [no description available] | medium | 1 | 0 | | |
| 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 |
| phentolamine | [no description available] | medium | 1 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| floxuridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent |
| neostigmine methylsulfate | [no description available] | medium | 1 | 0 | arylammonium sulfate salt | EC 3.1.1.8 (cholinesterase) inhibitor |
| prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| trichlorfon | [no description available] | medium | 1 | 0 | organic phosphonate;
organochlorine compound;
phosphonic ester | agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
| estrone | [no description available] | medium | 1 | 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 | 1 | 0 | hydrochloride | |
| azauridine | [no description available] | medium | 1 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite;
antineoplastic agent;
drug metabolite |
| 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 |
| desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| benzyltrimethylammonium chloride | [no description available] | medium | 1 | 0 | | |
| ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| promethazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative |
| uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
| tolazoline hydrochloride | [no description available] | medium | 1 | 0 | benzenes | |
| acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| methoxamine hydrochloride | [no description available] | medium | 1 | 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 |
| 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 |
| desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| fluocinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
| 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 |
| chlorpromazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
phenothiazines | anticoronaviral agent;
phenothiazine antipsychotic drug |
| ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
| cytarabine hydrochloride | [no description available] | medium | 1 | 0 | | |
| trifluridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor |
| 4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
| medroxyprogesterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester | adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive |
| isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
| mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| lidocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug;
local anaesthetic |
| triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid | gastrointestinal drug |
| methylprednisolone | [no description available] | medium | 1 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| 9,10-phenanthrenequinone | [no description available] | medium | 1 | 0 | phenanthrenes | |
| phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| mecoprop | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | |
| 2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
synthetic auxin |
| arsanilic acid | [no description available] | medium | 1 | 0 | organoarsonic acid | |
| 3-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
| pyridostigmine bromide | [no description available] | medium | 1 | 0 | pyridinium salt | |
| thiodipropionic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
| imipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
| neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
| edrophonium chloride | [no description available] | medium | 1 | 0 | chloride salt;
quaternary ammonium salt | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| maltol | [no description available] | medium | 1 | 0 | 4-pyranones | metabolite |
| cinchophen | [no description available] | medium | 1 | 0 | quinolines | |
| methapyrilene hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| phenazopyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| tetrracaine hydrochloride | [no description available] | medium | 1 | 0 | benzoate ester | |
| protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
| 20-alpha-dihydroprogesterone | [no description available] | medium | 1 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite;
mouse metabolite |
| 2-chloroadenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
organoammonium salt | anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative |
| quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
| chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| ethamivan | [no description available] | medium | 1 | 0 | methoxybenzenes;
phenols | |
| pargyline hydrochloride | [no description available] | medium | 1 | 0 | | |
| orphenadrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| fluocinonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
| fluorometholone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
| glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid | immunomodulator;
plant metabolite |
| podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| medroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | contraceptive drug;
progestin;
synthetic oral contraceptive |
| tetrahydrozoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| 1,2-naphthoquinone | [no description available] | medium | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| amitriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
| naphazoline hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| 4,4'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridine | |
| doxylamine succinate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| monoacetyldapsone | [no description available] | medium | 1 | 0 | acetamides;
anilide;
secondary carboxamide;
sulfone | |
| 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 |
| chlorotrianisene | [no description available] | medium | 1 | 0 | chloroalkene | antineoplastic agent;
estrogen receptor modulator;
xenoestrogen |
| aminacrine | [no description available] | medium | 1 | 0 | | |
| isoxsuprine hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
| bethanechol chloride | [no description available] | medium | 1 | 0 | carbamate ester;
chloride salt;
quaternary ammonium salt | muscarinic agonist |
| megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| 2-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides;
phenols | anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite |
| acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| clopamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| phosmet | [no description available] | medium | 1 | 0 | organic thiophosphate;
organothiophosphate insecticide;
phthalimides | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| levonorgestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound | contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive |
| malononitrile dimer | [no description available] | medium | 1 | 0 | | |
| diphenyl disulfide | [no description available] | medium | 1 | 0 | benzenes | |
| cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 1 | 0 | hydrochloride | |
| estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
| tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid;
pyrazines | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| 2,2'-dipyridylamine | [no description available] | medium | 1 | 0 | | |
| pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
| flurandrenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| diethylcarbamazine citrate | [no description available] | medium | 1 | 0 | piperazinecarboxamide | |
| azacyclonol | [no description available] | medium | 1 | 0 | diarylmethane | |
| 5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 1 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite;
human metabolite |
| guaiacoxyacetic acid | [no description available] | medium | 1 | 0 | | |
| methylene diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | bone density conservation agent;
chelator |
| amiloride hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | diuretic;
sodium channel blocker |
| pimozide | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| flumethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| azaribine | [no description available] | medium | 1 | 0 | acetate ester;
N-glycosyl-1,2,4-triazine | antipsoriatic;
prodrug |
| hydrocortisone hemisuccinate | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone | |
| antazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
| mebeverine hydrochloride | [no description available] | medium | 1 | 0 | | |
| stavudine | [no description available] | medium | 1 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| clidinium bromide | [no description available] | medium | 1 | 0 | | |
| diloxanide furoate | [no description available] | medium | 1 | 0 | carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide | antiamoebic agent;
prodrug |
| nitroxoline | [no description available] | medium | 1 | 0 | C-nitro compound;
monohydroxyquinoline | antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent |
| cladribine | [no description available] | medium | 1 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
| 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 |
| alverine citrate | [no description available] | medium | 1 | 0 | citrate salt;
organoammonium salt | antispasmodic drug;
cholinergic antagonist |
| cyclogyl | [no description available] | medium | 1 | 0 | | |
| metoclopramide hydrochloride | [no description available] | medium | 1 | 0 | | |
| isoetharine mesylate | [no description available] | medium | 1 | 0 | | |
| 6-nitroindazole | [no description available] | medium | 1 | 0 | | |
| hydrocortisone-17-butyrate | [no description available] | medium | 1 | 0 | butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone | dermatologic drug;
drug allergen |
| benserazide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
| eedq | [no description available] | medium | 1 | 0 | | |
| ornidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol | antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope |
| tetridamin | [no description available] | medium | 1 | 0 | | |
| metergoline | [no description available] | medium | 1 | 0 | carbamate ester;
ergoline alkaloid | dopamine agonist;
geroprotector;
serotonergic antagonist |
| capobenic acid | [no description available] | medium | 1 | 0 | benzamides | |
| thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
| clobetasol propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug |
| frentizole | [no description available] | medium | 1 | 0 | | |
| eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
| oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone;
dibenzoazepine | anticonvulsant;
drug allergen |
| moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| zidovudine | [no description available] | medium | 1 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| proroxan hydrochloride | [no description available] | medium | 1 | 0 | | |
| etomidate | [no description available] | medium | 1 | 0 | imidazoles | |
| buspirone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| propafenone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| bezafibrate | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| sq-11725 | [no description available] | medium | 1 | 0 | | |
| picobenzide | [no description available] | medium | 1 | 0 | | |
| flecainide acetate | [no description available] | medium | 1 | 0 | acetate salt | anti-arrhythmia drug |
| nicardipine hydrochloride | [no description available] | medium | 1 | 0 | dihydropyridine | geroprotector |
| triadimenol | [no description available] | medium | 1 | 0 | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite |
| captopril | [no description available] | medium | 1 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| terazosin hydrochloride anhydrous | [no description available] | medium | 1 | 0 | | |
| pergolide mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug;
dopamine agonist;
geroprotector |
| cerm-1978 | [no description available] | medium | 1 | 0 | hydrochloride | |
| dazoxiben hydrochloride | [no description available] | medium | 1 | 0 | | |
| lovastatin | [no description available] | medium | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| 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 |
| tobramycin sulfate | [no description available] | medium | 1 | 0 | | |
| benzylaminopurine | [no description available] | medium | 1 | 0 | 6-aminopurines | cytokinin;
plant metabolite |
| fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
| diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| trazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
| doxazosin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | geroprotector |
| amantadine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiviral agent;
dopamine agonist;
NMDA receptor antagonist |
| norharman | [no description available] | medium | 1 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
| desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
| ticlopidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| dopamine hydrochloride | [no description available] | medium | 1 | 0 | catecholamine | |
| sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt | |
| acetylcholine bromide | [no description available] | medium | 1 | 0 | bromide salt;
quaternary ammonium salt | |
| aloxistatin | [no description available] | medium | 1 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
| tryptamide | [no description available] | medium | 1 | 0 | | |
| trihexyphenidyl hydrochloride | [no description available] | medium | 1 | 0 | aralkylamine | |
| oxyphencyclimine hydrochloride | [no description available] | medium | 1 | 0 | pyrimidines | |
| thioridazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | first generation antipsychotic;
geroprotector |
| diphenylpyraline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | cholinergic antagonist;
H1-receptor antagonist |
| procainamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| siquil | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent |
| mepivacaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
piperidinecarboxamide | local anaesthetic |
| oxymetazoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| diphenidol hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
| alprenolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| edoxudin | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | |
| 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 |
| 6-ketoestradiol | [no description available] | medium | 1 | 0 | | |
| 17 beta-estradiol hemisuccinate | [no description available] | medium | 1 | 0 | | |
| amizyl | [no description available] | medium | 1 | 0 | | |
| salicylhydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid;
phenols | antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug |
| 1,7-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | |
| 3-fluoro-4-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | | |
| dyclonine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | topical anaesthetic |
| clomipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug |
| prazosin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| mianserin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
| miconazole nitrate | [no description available] | medium | 1 | 0 | | |
| econazole nitrate | [no description available] | medium | 1 | 0 | | |
| 2,4-dimethoxybenzaldehyde | [no description available] | medium | 1 | 0 | | |
| enrofloxacin | [no description available] | medium | 1 | 0 | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent |
| clobetasone butyrate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| loxapine succinate | [no description available] | medium | 1 | 0 | succinate salt | geroprotector |
| guanfacine hydrochloride | [no description available] | medium | 1 | 0 | acetamides | geroprotector |
| labetalol hydrochloride | [no description available] | medium | 1 | 0 | salicylamides | |
| diflorasone diacetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug;
antipruritic drug |
| acecainide hydrochloride | [no description available] | medium | 1 | 0 | | |
| loperamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| maprotiline hydrochloride | [no description available] | medium | 1 | 0 | anthracenes | |
| hydroxyzine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| secnidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
secondary alcohol | epitope |
| ergocornine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
| pramoxine hydrochloride | [no description available] | medium | 1 | 0 | aromatic ether | |
| butyrylcholine chloride | [no description available] | medium | 1 | 0 | | |
| 1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
| chloropyramine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 6-aminoindazole | [no description available] | medium | 1 | 0 | indazoles | |
| 5-aminoindazole | [no description available] | medium | 1 | 0 | | |
| phentolamine mesylate | [no description available] | medium | 1 | 0 | | |
| oxybutynin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| 2-methylhippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | metabolite |
| prilocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | local anaesthetic |
| meclizine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 11-hydroxyprogesterone, (11alpha)-isomer | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid | |
| malic acid, (r)-isomer | [no description available] | medium | 1 | 0 | malic acid | |
| 21-deoxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone | human blood serum metabolite;
mouse metabolite |
| estrone 3-methyl ether | [no description available] | medium | 1 | 0 | | |
| e-250 | [no description available] | medium | 1 | 0 | | |
| rac-glycerol 1-monodecanoate | [no description available] | medium | 1 | 0 | rac-1-monoacylglycerol | |
| nipecotic acid amide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
| levcromakalim | [no description available] | medium | 1 | 0 | 1-benzopyran | |
| tachistin | [no description available] | medium | 1 | 0 | | |
| cortisol octanoate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| armepavine | [no description available] | medium | 1 | 0 | | |
| n(6)-phenyladenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| mizoribine | [no description available] | medium | 1 | 0 | imidazoles | anticoronaviral agent |
| alphaxalone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| bicuculline methiodide | [no description available] | medium | 1 | 0 | | |
| beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
| tryptoline | [no description available] | medium | 1 | 0 | beta-carbolines | |
| gamma-fagarine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| betaxolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent;
beta-adrenergic antagonist |
| Zearalanone | [no description available] | medium | 1 | 0 | macrolide;
resorcinols | |
| butethamate citrate | [no description available] | medium | 1 | 0 | | |
| 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol | [no description available] | medium | 1 | 0 | piperidines | |
| gallopamil hydrochloride | [no description available] | medium | 1 | 0 | | |
| histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| 1,3-dimethylbenzimidazoline-2-thione | [no description available] | medium | 1 | 0 | | |
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
| desloratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine | anti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist |
| 3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | [no description available] | medium | 1 | 0 | | |
| dichloro-1,2-diaminocyclohexane platinum complex | [no description available] | medium | 1 | 0 | | |
| 1,4-di(2'-thienyl)-1,4-butadione | [no description available] | medium | 1 | 0 | | |
| idazoxan hydrochloride | [no description available] | medium | 1 | 0 | | |
| methyl 5-aminolevulinate hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug |
| antazoline phosphate | [no description available] | medium | 1 | 0 | | |
| pridinol mesylate | [no description available] | medium | 1 | 0 | | |
| 17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| atropine | [no description available] | medium | 2 | 0 | | |
| 5-fluorotryptamine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| piribedil mesylate | [no description available] | medium | 1 | 0 | | |
| serc | [no description available] | medium | 1 | 0 | | |
| procyclidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| (7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one | [no description available] | medium | 1 | 0 | macrolide | |
| 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 |
| equilin | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid | |
| adrenosterone | [no description available] | medium | 1 | 0 | 11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite |
| gossypol acetic acid | [no description available] | medium | 1 | 0 | | |
| epinastine | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
| 4',6-dihydroxy-5,7-dimethoxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone;
dimethoxyflavone | |
| 2-hydroxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
2-hydroxy steroid | carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug |
| medrysone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| artisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| chondocurine (1beta)-(+-)-isomer | [no description available] | medium | 1 | 0 | aromatic ether | |
| 4-methoxyxanthone | [no description available] | medium | 1 | 0 | | |
| 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide | [no description available] | medium | 1 | 0 | amine | |
| 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 |
| mandelic acid, (s)-isomer | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid;
mandelic acid | |
| tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 1 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
| cortodoxone | [no description available] | medium | 1 | 0 | deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| acebutolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent |
| amiodarone hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
| dicyclomine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antispasmodic drug;
muscarinic antagonist |
| nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
| difluprednate | [no description available] | medium | 1 | 0 | butyrate ester;
corticosteroid hormone | |
| dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
| vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
| amcinonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal | anti-inflammatory drug |
| flumethasone pivalate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| dihydroergocristine monomesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | alpha-adrenergic antagonist;
geroprotector;
vasodilator agent |
| tretinoin | [no description available] | medium | 2 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
| resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| 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 |
| histidyl-proline diketopiperazine | [no description available] | medium | 1 | 0 | dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine | anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite |
| afimoxifene | [no description available] | medium | 1 | 0 | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite |
| ketoconazole | [no description available] | medium | 1 | 0 | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
| aphidicolin | [no description available] | medium | 1 | 0 | tetracyclic diterpenoid | antimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite |
| azaserine | [no description available] | medium | 1 | 0 | carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid | antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite |
| maltitol | [no description available] | medium | 1 | 0 | alpha-D-glucoside;
glycosyl alditol | laxative;
metabolite;
sweetening agent |
| chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| thermospine | [no description available] | medium | 1 | 0 | | |
| dibenzylidene acetone | [no description available] | medium | 1 | 0 | | |
| 4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone | [no description available] | medium | 1 | 0 | cycloheptafuran | |
| 5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester;
benzofurans | |
| 5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| haplamine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
| diethylstilbestrol dipropionate | [no description available] | medium | 1 | 0 | | |
| (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines;
sn-glycerol 3-phosphates | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite |
| n-methylscopolamine nitrate | [no description available] | medium | 1 | 0 | | |
| propylthiouracil | [no description available] | medium | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist |
| phenytoin sodium | [no description available] | medium | 1 | 0 | | |
| nsc 4347 | [no description available] | medium | 1 | 0 | | |
| ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
| 4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide | [no description available] | medium | 1 | 0 | benzamides | |
| methamilane methiodide | [no description available] | medium | 1 | 0 | | |
| physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt;
salicylates | |
| pilocarpine nitrate | [no description available] | medium | 1 | 0 | | |
| n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
| methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
| 1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
| 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one | [no description available] | medium | 1 | 0 | benzoxazine | |
| dienestrol | [no description available] | medium | 1 | 0 | | |
| methylthiouracil | [no description available] | medium | 1 | 0 | pyrimidone | |
| 4-methoxy-N-(3-pyridinylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| 5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester | [no description available] | medium | 1 | 0 | coumarins | |
| 2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide | [no description available] | medium | 1 | 0 | phthalimides | |
| urocanic acid | [no description available] | medium | 1 | 0 | urocanic acid | human metabolite |
| 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
| 3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | oxadiazole;
ring assembly | |
| 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid | [no description available] | medium | 1 | 0 | psoralens | |
| 1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | [no description available] | medium | 1 | 0 | pyrimidotriazine | |
| thiothixene | [no description available] | medium | 1 | 0 | N-methylpiperazine | anticoronaviral agent |
| curcumin | [no description available] | medium | 1 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
| 9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one | [no description available] | medium | 1 | 0 | pyridochromene | |
| 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester | [no description available] | medium | 1 | 0 | chromones | |
| 5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| 4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| [2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone | [no description available] | medium | 1 | 0 | quinolines | |
| 5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide;
furans | |
| 2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | quinolines | |
| N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
| 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 |
| 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
| 1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea | [no description available] | medium | 1 | 0 | benzothiazoles | |
| N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| 2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | [no description available] | medium | 1 | 0 | flavones;
tert-butyl ester | |
| ethylenethiourea | [no description available] | medium | 1 | 0 | imidazolidines | |
| tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
| p-aminosalicylic acid monosodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
| digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| mecysteine hydrochloride | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
| ethionamide | [no description available] | medium | 1 | 0 | pyridines;
thiocarboxamide | antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug |
| 2-(2-furanyl)-4-thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| dihydrosamidine | [no description available] | medium | 1 | 0 | | |
| N-(2-methoxycyclohexyl)-3,4-dimethylaniline | [no description available] | medium | 1 | 0 | methylbenzene | |
| eskazine | [no description available] | medium | 1 | 0 | | |
| 2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione | [no description available] | medium | 1 | 0 | methylbenzene | |
| 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester | [no description available] | medium | 1 | 0 | isopropyl ester;
piperazines | |
| zeranol | [no description available] | medium | 1 | 0 | macrolide | |
| monooctanoin | [no description available] | medium | 1 | 0 | 1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol | |
| trimethoprim | [no description available] | medium | 1 | 0 | | |
| 4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid | [no description available] | medium | 1 | 0 | peptide | |
| N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| 3-acetyl-6-methyl-1H-quinolin-4-one | [no description available] | medium | 1 | 0 | quinolines | |
| 3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone | [no description available] | medium | 1 | 0 | aryl sulfide | |
| N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide | [no description available] | medium | 1 | 0 | imidazolidines | |
| Anthraniloyllycoctonine | [no description available] | medium | 1 | 0 | diterpene alkaloid | |
| N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
| 1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid | [no description available] | medium | 1 | 0 | harmala alkaloid | |
| diclofenac sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| biochanin a | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| prostaglandin b1 | [no description available] | medium | 1 | 0 | prostaglandins B | human metabolite |
| prostaglandin f1 | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite |
| 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 | 1 | 0 | maleate salt | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
| zearalenone | [no description available] | medium | 1 | 0 | macrolide;
resorcinols | fungal metabolite;
mycoestrogen |
| estriol 17-glucuronide | [no description available] | medium | 1 | 0 | steroid saponin | |
| 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 |
| 4-hydroxyestradiol | [no description available] | medium | 1 | 0 | 4-hydroxy steroid | metabolite |
| menatetrenone | [no description available] | medium | 1 | 0 | menaquinone | anti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent |
| xylometazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
| ketotifen fumarate | [no description available] | medium | 1 | 0 | organoammonium salt | anti-asthmatic drug;
H1-receptor antagonist |
| dinoprost tromethamine | [no description available] | medium | 1 | 0 | organic molecular entity | |
| hydrocortisone valerate | [no description available] | medium | 1 | 0 | cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester | |
| prostaglandin f2 methyl ester | [no description available] | medium | 1 | 0 | prostanoid | |
| 2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | | |
| perhexiline maleate | [no description available] | medium | 1 | 0 | | |
| phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| phenylephrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| mepyramine maleate | [no description available] | medium | 1 | 0 | | |
| ethisterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | drug metabolite;
progestin |
| nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| 6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 1 | 0 | 6alpha-hydroxy steroid | |
| desoximetasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| u-44619 | [no description available] | medium | 1 | 0 | | |
| furazolidone | [no description available] | medium | 1 | 0 | | |
| tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
| nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
| molsidomine | [no description available] | medium | 1 | 0 | ethyl ester;
morpholines;
oxadiazole;
zwitterion | antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent |
| rg 13022 | [no description available] | medium | 1 | 0 | | |
| styrylquinoline | [no description available] | medium | 1 | 0 | 2-styrylquinoline | |
| kavain | [no description available] | medium | 1 | 0 | racemate | glycine receptor antagonist |
| enalapril maleate | [no description available] | medium | 1 | 0 | maleate salt | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| trimebutine maleate salt | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
| vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
| vincristine sulfate | [no description available] | medium | 1 | 0 | | |
| 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | isoflavones | |
| (2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid | [no description available] | medium | 1 | 0 | peptide | |
| n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
| 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 |
| phentolamine | [no description available] | medium | 1 | 0 | | |
| fendiline hydrochloride | [no description available] | medium | 1 | 0 | | |
| tiapridex | [no description available] | medium | 1 | 0 | benzamides | |
| nab-365 | [no description available] | medium | 1 | 0 | hydrochloride | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| dithiazanine iodide | [no description available] | medium | 1 | 0 | benzothiazoles;
organic iodide salt | anthelminthic drug;
fluorochrome |
| sinequan | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
| buflomedil hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
| moxisylyte hydrochloride | [no description available] | medium | 1 | 0 | monoterpenoid | |
| dirithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | prodrug |
| fluphenazine | [no description available] | medium | 1 | 0 | | |
| homochlorocyclizine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| butoxamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
| protriptyline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
| emetine hydrochloride | [no description available] | medium | 1 | 0 | | |
| epinephrine bitartrate | [no description available] | medium | 1 | 0 | | |
| bicuculline methobromide | [no description available] | medium | 1 | 0 | | |
| 6 beta-hydroxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mammalian metabolite;
probe |
| butylscopolammonium bromide | [no description available] | medium | 1 | 0 | | |
| androst-16-en-3-one | [no description available] | medium | 1 | 0 | 3-oxo steroid;
androstanoid | mammalian metabolite;
pheromone |
| butaclamol hydrochloride | [no description available] | medium | 1 | 0 | | |
| dihydroouabain | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent |
| LSM-6455 | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | |
| estradiol 17-acetate | [no description available] | medium | 1 | 0 | steroid ester | |
| (3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione | [no description available] | medium | 1 | 0 | pyrrolidines | |
| 3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| cefotaxime sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine | [no description available] | medium | 1 | 0 | pyrazoles;
ring assembly | |
| bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide | |
| ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| penicillin g potassium | [no description available] | medium | 1 | 0 | organic potassium salt | |
| piperacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cefoxitin sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
| nafcillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug |
| sodium diatrizoate | [no description available] | medium | 1 | 0 | organic sodium salt;
organoiodine compound | radioopaque medium |
| estrone sulfate, potassium salt | [no description available] | medium | 1 | 0 | | |
| cefazolin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| naproxen sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
| piroxicam | [no description available] | medium | 1 | 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 |
| acenocoumarol | [no description available] | medium | 1 | 0 | C-nitro compound;
hydroxycoumarin;
methyl ketone | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
| mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| mobiflex | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| inosine | [no description available] | medium | 1 | 0 | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| clozapine | [no description available] | medium | 1 | 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 |
| kf38789 | [no description available] | medium | 1 | 0 | | |
| allopurinol | [no description available] | medium | 2 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| pralidoxime iodide | [no description available] | medium | 1 | 0 | organic iodide salt;
pyridinium salt | cholinergic drug;
cholinesterase reactivator |
| pralidoxime chloride | [no description available] | medium | 1 | 0 | organic chloride salt;
pyridinium salt | cholinergic drug;
cholinesterase reactivator |
| trimipramine | [no description available] | medium | 1 | 0 | dibenzoazepine;
tertiary amino compound | antidepressant;
environmental contaminant;
xenobiotic |
| risperidone | [no description available] | medium | 1 | 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 |
| trazodone | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine | adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| naloxone | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| tyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
| cysteamine | [no description available] | medium | 15 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
| mycophenolic acid | [no description available] | medium | 1 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
| p-aminoazobenzene | [no description available] | medium | 1 | 0 | | |
| guanosine triphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor |
| c.i. solvent yellow 56 | [no description available] | medium | 1 | 0 | azobenzenes;
substituted aniline;
tertiary amino compound | dye;
mutagen |
| dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| palladium | [no description available] | medium | 2 | 0 | metal allergen;
nickel group element atom;
platinum group metal atom | |
| aspirin | [no description available] | medium | 9 | 1 | 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 |
| thiazoles | [no description available] | medium | 5 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| gastrins | [no description available] | medium | 2 | 0 | | |
| 16,16-dimethylprostaglandin e | [no description available] | medium | 1 | 0 | prostanoid | |
| propantheline | [no description available] | medium | 1 | 0 | xanthenes | |
| famotidine | [no description available] | medium | 3 | 0 | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| aluminum hydroxide, magnesium hydroxide, drug combination | [no description available] | medium | 1 | 0 | | |
| prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| 16,16-dimethylprostaglandin e2 | [no description available] | medium | 4 | 0 | cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol | anti-ulcer drug;
gastrointestinal drug;
radiation protective agent |
| vasoactive intestinal peptide | [no description available] | medium | 2 | 0 | | |
| hydrogen carbonate | [no description available] | medium | 7 | 0 | carbon oxoanion | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| carnosine | [no description available] | medium | 2 | 0 | amino acid zwitterion;
dipeptide | anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent |
| n-acetylcarnosine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| iodoantipyrine | [no description available] | medium | 1 | 0 | | |
| hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
| ng-nitroarginine methyl ester | [no description available] | medium | 2 | 0 | alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| arginine | [no description available] | medium | 1 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| clonidine | [no description available] | medium | 1 | 0 | clonidine;
imidazoline | |
| hexamethonium | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| ym 022 | [no description available] | medium | 1 | 0 | | |
| piperidines | [no description available] | medium | 2 | 1 | | |
| hydrochloric acid | [no description available] | medium | 2 | 0 | chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride | mouse metabolite |
| ku 1257 | [no description available] | medium | 1 | 0 | piperidines | |
| cyanides | [no description available] | medium | 1 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| phenyl acetate | [no description available] | medium | 2 | 0 | benzenes;
phenyl acetates | |
| tetragastrin | [no description available] | medium | 1 | 0 | peptidyl amide;
tetrapeptide | anxiogenic;
human metabolite |
| acetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| quinazolines | [no description available] | medium | 2 | 1 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines | |
| ranitidine | [no description available] | medium | 2 | 0 | C-nitro compound;
furans;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic |
| t 593 | [no description available] | medium | 1 | 0 | | |
| dulcerozine | [no description available] | medium | 5 | 0 | | |
| mocetinostat | [no description available] | medium | 1 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
| l 365260 | [no description available] | medium | 1 | 0 | benzodiazepine | |
| pentagastrin | [no description available] | medium | 1 | 0 | organic molecular entity | |
| peptones | [no description available] | medium | 1 | 0 | | |
| pantoprazole | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic |
| platinum | [no description available] | medium | 1 | 0 | elemental platinum;
nickel group element atom;
platinum group metal atom | |
| dithiothreitol | [no description available] | medium | 1 | 0 | 1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol | chelator;
human metabolite;
reducing agent |
| endothelin-1 | [no description available] | medium | 1 | 0 | | |
| bq 123 | [no description available] | medium | 1 | 0 | cyclic peptide | |
| perisoxal | [no description available] | medium | 1 | 1 | aralkylamine | |
| isoxazoles | [no description available] | medium | 1 | 1 | isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| oxazoles | [no description available] | medium | 1 | 1 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| deuterium | [no description available] | medium | 2 | 0 | dihydrogen | |
| trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite;
NMR chemical shift reference compound;
reagent |
| ovalbumin | [no description available] | medium | 1 | 0 | | |
| formaldehyde | [no description available] | medium | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| bradykinin | [no description available] | medium | 1 | 0 | oligopeptide | human blood serum metabolite;
vasodilator agent |
| substance p | [no description available] | medium | 2 | 0 | peptide | neurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent |
| capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| ornoprostil | [no description available] | medium | 1 | 0 | organic molecular entity | |
| alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent |
| propionitrile | [no description available] | medium | 2 | 0 | aliphatic nitrile;
volatile organic compound | polar aprotic solvent |
| propentofylline | [no description available] | medium | 1 | 0 | oxopurine | |
| 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 2 | 0 | methylpyridines;
phenylpyridine;
tetrahydropyridine | neurotoxin |
| mifentidine | [no description available] | medium | 1 | 0 | | |
| tiaramide | [no description available] | medium | 2 | 0 | benzothiazoles | |
| benzydamine | [no description available] | medium | 1 | 0 | aromatic ether;
indazoles;
tertiary amino compound | analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug |
| 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 |
| tinoridine | [no description available] | medium | 1 | 0 | thienopyridine | |
| ibufenac | [no description available] | medium | 1 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| sulindac | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent |
| 6-ketoprostaglandin f1 alpha | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite;
mouse metabolite |
| quinacrine | [no description available] | low | 0 | 0 | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| vanilmandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid;
aromatic ether;
phenols | human metabolite |
| 4-(2,4-dichlorophenoxy)butyric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound | agrochemical;
phenoxy herbicide;
synthetic auxin |
| win 52035 | [no description available] | low | 0 | 0 | aromatic ether | |
| win 52084 | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(nonyloxy)tryptamine | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
tryptamines | serotonergic agonist |
| methylbufotenin | [no description available] | low | 0 | 0 | aromatic ether;
tertiary amino compound;
tryptamine alkaloid | hallucinogen;
plant metabolite |
| 5-methoxytryptamine | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
tryptamines | 5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist |
| ro 48-8071 | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound | antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor |
| rtki cpd | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
quinazolines | antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector |
| amsacrine | [no description available] | low | 0 | 0 | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| aristolochic acid i | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol | allelochemical;
plant metabolite |
| bufetolol | [no description available] | low | 0 | 0 | aromatic ether | |
| bunitrolol | [no description available] | low | 0 | 0 | aromatic ether | |
| bupranolol | [no description available] | low | 0 | 0 | aromatic ether | |
| verapamil | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| cgp 12177 | [no description available] | low | 0 | 0 | aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist |
| ciglitazone | [no description available] | low | 0 | 0 | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug |
| cirazoline | [no description available] | low | 0 | 0 | aromatic ether | |
| clofibrate | [no description available] | low | 0 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| clofibric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist |
| colchicine, (+-)-isomer | [no description available] | low | 0 | 0 | acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound | microtubule-destabilising agent;
plant metabolite |
| croconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole antifungal drug;
imidazole antifungal drug;
monochlorobenzenes | |
| cypermethrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound | agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| racemethorphan | [no description available] | low | 0 | 0 | aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound | |
| dilacor xr | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound | |
| domiphen | [no description available] | low | 0 | 0 | aromatic ether | |
| donepezil | [no description available] | low | 0 | 0 | aromatic ether;
indanones;
piperidines;
racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent |
| ethoxyquin | [no description available] | low | 0 | 0 | aromatic ether;
quinolines | antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator |
| 2-hexyloxybenzamide | [no description available] | low | 0 | 0 | aromatic ether;
benzamides | antifungal agent |
| carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | low | 0 | 0 | aromatic ether;
hydrazone;
nitrile;
organofluorine compound | ATP synthase inhibitor;
geroprotector;
ionophore |
| fenvalerate | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
monochlorobenzenes | pyrethroid ester acaricide;
pyrethroid ester insecticide |
| flecainide | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug |
| fluoxetine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| gallamine triethiodide | [no description available] | low | 0 | 0 | aromatic ether | |
| haloprogin | [no description available] | low | 0 | 0 | aromatic ether | |
| mephenesin | [no description available] | low | 0 | 0 | aromatic ether;
glycerol ether | |
| methoctramine | [no description available] | low | 0 | 0 | aromatic ether;
tetramine | muscarinic antagonist |
| methoxsalen | [no description available] | low | 0 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| metoprolol | [no description available] | low | 0 | 0 | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic |
| mexiletine | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound | anti-arrhythmia drug |
| midodrine | [no description available] | low | 0 | 0 | amino acid amide;
aromatic ether;
secondary alcohol | alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent |
| clorgyline | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound | antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| nefazodone | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor |
| nisoxetine | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound | adrenergic uptake inhibitor;
antidepressant |
| n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | antineoplastic agent;
cyclooxygenase 2 inhibitor |
| oxprenolol | [no description available] | low | 0 | 0 | aromatic ether | |
| pd 153035 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist |
| pentamidine | [no description available] | low | 0 | 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 |
| phenacetin | [no description available] | low | 0 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| pioglitazone | [no description available] | low | 0 | 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 |
| piretanide | [no description available] | low | 0 | 0 | aromatic ether | |
| pramoxine | [no description available] | low | 0 | 0 | aromatic ether;
morpholines | local anaesthetic |
| prazosin | [no description available] | low | 0 | 0 | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| primaquine | [no description available] | low | 0 | 0 | aminoquinoline;
aromatic ether;
N-substituted diamine | antimalarial |
| proglumetacin | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| propoxur | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| pyrilamine | [no description available] | low | 0 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
| tetrahydropapaverine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound | |
| tilorone | [no description available] | low | 0 | 0 | aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound | anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist |
| ultram | [no description available] | low | 0 | 0 | aromatic ether;
tertiary alcohol;
tertiary amino compound | |
| triclosan | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic |
| viloxazine | [no description available] | low | 0 | 0 | aromatic ether | |
| wb 4101 | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxine;
secondary amino compound | alpha-adrenergic antagonist |
| 3,3',5-triiodothyropropionic acid | [no description available] | low | 0 | 0 | aromatic ether | |
| methacetin | [no description available] | low | 0 | 0 | acetamides;
aromatic ether | |
| visnagin | [no description available] | low | 0 | 0 | aromatic ether;
furanochromone;
polyketide | anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent |
| 2-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| phenetidine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| 2-methyl-4-chlorophenoxy gamma-butyric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
xenobiotic |
| 4-bromophenyl phenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| di-(4-aminophenyl)ether | [no description available] | low | 0 | 0 | aromatic ether | |
| phenyl ether | [no description available] | low | 0 | 0 | aromatic ether | plant metabolite |
| diglycidyl resorcinol ether | [no description available] | low | 0 | 0 | aromatic ether | |
| phenetole | [no description available] | low | 0 | 0 | aromatic ether | |
| scoparone | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite |
| dimethoxyphenylethylamine | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
phenylethylamine | allergen;
plant metabolite |
| dichlorprop | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
monocarboxylic acid | |
| 3-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | aromatic ether;
phenols | antioxidant;
human xenobiotic metabolite |
| ethyl vanillin | [no description available] | low | 0 | 0 | aromatic ether;
benzaldehydes;
phenols | antioxidant;
flavouring agent |
| benzethonium chloride | [no description available] | low | 0 | 0 | aromatic ether;
chloride salt;
quaternary ammonium salt | antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant |
| peucedanin | [no description available] | low | 0 | 0 | aromatic ether;
furanocoumarin;
lactone | plant metabolite |
| phenetidine | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
substituted aniline | drug metabolite |
| 6-methoxybenzoxazolinone | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazole | antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite |
| 3-anisidine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| domiphen bromide | [no description available] | low | 0 | 0 | aromatic ether | |
| dibrompropamidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-Ethoxyphenol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| bulbocapnine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
oxacycle;
phenols | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite |
| xylocholine | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-methoxycatechol | [no description available] | low | 0 | 0 | aromatic ether;
catechols | G-protein-coupled receptor agonist |
| 2-phenoxypropanoic acid | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic acid | |
| 6-methoxyquinoline | [no description available] | low | 0 | 0 | aromatic ether;
quinolines | |
| metaxalone | [no description available] | low | 0 | 0 | aromatic ether | |
| heliamine | [no description available] | low | 0 | 0 | aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines | plant metabolite |
| 2,4,6-trichlorophenyl 4-nitrophenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
chlorobenzenes | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| etridiazol | [no description available] | low | 0 | 0 | aromatic ether;
organochlorine compound;
thiadiazole antifungal agent;
thiadiazoles | antifungal agrochemical;
nitrification inhibitor |
| toliprolol | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-methoxyindoleacetic acid | [no description available] | low | 0 | 0 | aromatic ether;
indole-3-acetic acids | antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite |
| iproclozide | [no description available] | low | 0 | 0 | aromatic ether | |
| phenoxyacetic acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid | allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant |
| nafenopin | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid | |
| methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
phenols | antioxidant;
plant metabolite |
| 5-methoxyindole-2-carboxylic acid | [no description available] | low | 0 | 0 | aromatic ether;
indolecarboxylic acid | EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite |
| 2-isopropoxyphenol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| dehydroemetine | [no description available] | low | 0 | 0 | aromatic ether;
isoquinolines;
pyridoisoquinoline | antileishmanial agent;
antimalarial;
antiprotozoal drug |
| 1,2-epoxy-3-(p-nitrophenoxy)propane | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
epoxide | |
| laurolitsine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
phenols | HIV-1 integrase inhibitor;
metabolite |
| metocurine iodide | [no description available] | low | 0 | 0 | aromatic ether | |
| ac 45594 | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-phenoxybenzylalcohol | [no description available] | low | 0 | 0 | aromatic ether;
benzyl alcohols | marine xenobiotic metabolite |
| devrinol | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
naphthalenes | |
| fluorodifen | [no description available] | low | 0 | 0 | aromatic ether | |
| acridine half-mustard | [no description available] | low | 0 | 0 | aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound | mutagen |
| precocene i | [no description available] | low | 0 | 0 | aromatic ether;
chromenes | plant metabolite;
precocenes |
| oxadiazon | [no description available] | low | 0 | 0 | aromatic ether | |
| lofexidine | [no description available] | low | 0 | 0 | aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles | alpha-adrenergic agonist;
antihypertensive agent |
| alclofenac | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| phenylglycidyl ether | [no description available] | low | 0 | 0 | aromatic ether | |
| phenoxyethanol | [no description available] | low | 0 | 0 | aromatic ether;
glycol ether;
primary alcohol | antiinfective agent;
central nervous system depressant |
| metipranolol | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| silybin | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite |
| oxamethacin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| canadine | [no description available] | low | 0 | 0 | aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle | |
| 7-ethoxycoumarin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | |
| medifoxamine | [no description available] | low | 0 | 0 | aromatic ether | |
| chlormethoxynil | [no description available] | low | 0 | 0 | aromatic ether | |
| climbazole | [no description available] | low | 0 | 0 | aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes | |
| 4-hexyloxyaniline | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| ticrynafen | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes | antihypertensive agent;
hepatotoxic agent;
loop diuretic |
| 2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid | |
| oxyfluorofen | [no description available] | low | 0 | 0 | aromatic ether | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| triadimefon | [no description available] | low | 0 | 0 | aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles | |
| levobunolol | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
propanolamine | antiglaucoma drug;
beta-adrenergic antagonist |
| dichlorfop-methyl | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
diether;
methyl ester | |
| decamethrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound | agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide |
| triclopyr | [no description available] | low | 0 | 0 | aromatic ether;
chloropyridine;
monocarboxylic acid | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| prenalterol | [no description available] | low | 0 | 0 | aromatic ether | |
| st 1059 | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
secondary alcohol | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent |
| paroxetine | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| acifluorfen | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| bopindolol | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
methylindole;
secondary amino compound | |
| fenpropathrin, (+-)-isomer | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| triflumuron | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound | |
| flutolanil | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| fenoxaprop ethyl | [no description available] | low | 0 | 0 | aromatic ether | |
| triclabendazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | environmental contaminant;
herbicide;
xenobiotic |
| fluvalinate | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| haloxyfop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines | |
| fluazifop-butyl | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines | |
| fomesafen | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| fenoxycarb | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester | environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic |
| quizalofop-ethyl | [no description available] | low | 0 | 0 | aromatic ether;
ethyl ester;
organochlorine compound;
quinoxaline derivative | |
| cetamolol | [no description available] | low | 0 | 0 | aromatic ether | |
| atomoxetine | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound;
toluenes | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic |
| methyl bensulfuron | [no description available] | low | 0 | 0 | aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| itraconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor |
| loxtidine | [no description available] | low | 0 | 0 | aromatic ether;
piperidines;
primary alcohol;
triazoles | H2-receptor antagonist |
| disoxaril | [no description available] | low | 0 | 0 | aromatic ether | |
| chlorimuron ethyl | [no description available] | low | 0 | 0 | aromatic ether;
ethyl ester;
N-sulfonylurea;
organochlorine pesticide;
pyrimidines;
sulfamoylbenzoate | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide |
| tepoxalin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles | antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| esmolol | [no description available] | low | 0 | 0 | aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound | |
| pioglitazone hydrochloride | [no description available] | low | 0 | 0 | aromatic ether | |
| aripiprazole | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist |
| sulfametrole | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles | |
| propamidine | [no description available] | low | 0 | 0 | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug |
| hexamidine | [no description available] | low | 0 | 0 | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug |
| o-4-methylthymine | [no description available] | low | 0 | 0 | aromatic ether;
methylthymine | human metabolite |
| fenclofenac | [no description available] | low | 0 | 0 | aromatic ether | |
| tetraiodothyroacetic acid | [no description available] | low | 0 | 0 | 2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid | apoptosis inducer;
human metabolite;
thyroid hormone |
| fluazuron | [no description available] | low | 0 | 0 | aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas | acaricide;
mite growth regulator |
| etiroxate | [no description available] | low | 0 | 0 | aromatic ether | |
| etofamide | [no description available] | low | 0 | 0 | aromatic ether | |
| d 888 | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
tertiary amino compound | anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent |
| esreboxetine | [no description available] | low | 0 | 0 | aromatic ether | |
| guaethol | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
volatile organic compound | flavouring agent |
| spiramide | [no description available] | low | 0 | 0 | aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
serotonergic antagonist |
| 5'-nitro-2'-propoxyacetanilide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| suberosin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | anticoagulant;
plant metabolite |
| 4-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols | estrogen;
human metabolite;
rat metabolite |
| toltrazuril | [no description available] | low | 0 | 0 | aromatic ether | |
| plafibride | [no description available] | low | 0 | 0 | aromatic ether | |
| cinitapride | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| isoscopoletin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | plant metabolite |
| ethofenprox | [no description available] | low | 0 | 0 | aromatic ether | pyrethroid ether insecticide |
| uk 68798 | [no description available] | low | 0 | 0 | aromatic ether;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
potassium channel blocker |
| hp 873 | [no description available] | low | 0 | 0 | 1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist |
| fenoxypropazine | [no description available] | low | 0 | 0 | aromatic ether | |
| fluphenacur | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound | |
| 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 |
| rubrofusarin | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone;
phenols;
polyketide | biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite |
| triasulfuron | [no description available] | low | 0 | 0 | 1,3,5-triazines;
aromatic ether;
N-sulfonylurea;
organochlorine compound | agrochemical;
herbicide |
| dauricine | [no description available] | low | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound | plant metabolite |
| uvaretin | [no description available] | low | 0 | 0 | aromatic ether;
dihydrochalcones;
polyketide;
resorcinol | antineoplastic agent;
plant metabolite |
| fangchinoline | [no description available] | low | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle | anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite |
| prochloraz | [no description available] | low | 0 | 0 | amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| stictic acid | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-methoxybenzylamine | [no description available] | low | 0 | 0 | aralkylamino compound;
aromatic ether;
primary amino compound | |
| xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid | carcinogenic agent;
metabolite;
mouse metabolite |
| adriamycinol | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones | cardiotoxic agent;
drug metabolite |
| difenoconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| a 8947 | [no description available] | low | 0 | 0 | aromatic ether;
biaryl;
N-sulfonylurea;
pyrazole pesticide;
tetrazoles | EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| thifluzamide | [no description available] | low | 0 | 0 | 1,3-thiazoles;
anilide fungicide;
aromatic amide;
aromatic ether;
dibromobenzene;
organofluorine compound | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| ethylhydrocupreine | [no description available] | low | 0 | 0 | aromatic ether;
cinchona alkaloid | EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| 7,8-dihydromethysticin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| 4,5-dimethoxy-2-nitrobenzaldehyde | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| bisphenol f diglycidyl ether | [no description available] | low | 0 | 0 | aromatic ether;
diarylmethane;
epoxide | |
| oryzemate | [no description available] | low | 0 | 0 | 1,2-benzisothiazole;
aromatic ether;
benzothiazole fungicide;
sulfone | antifungal agrochemical;
plant activator |
| bitertanol | [no description available] | low | 0 | 0 | aromatic ether;
biphenyls;
secondary alcohol;
triazoles | |
| fluazifop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines | |
| diflufenican | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide | carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| hexafluoron | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organochlorine insecticide;
organofluorine insecticide | |
| diethofencarb | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester;
carbanilate fungicide | antifungal agrochemical |
| pyriproxyfen | [no description available] | low | 0 | 0 | aromatic ether;
pyridines | juvenile hormone mimic |
| methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea | EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| dpx e9636 | [no description available] | low | 0 | 0 | aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone | environmental contaminant;
herbicide;
xenobiotic |
| aclonifen | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
primary amino compound;
substituted aniline | agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| cinosulfuron | [no description available] | low | 0 | 0 | aromatic ether | |
| clodinafop-propargyl | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines | agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide |
| triflusulfuron-methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide |
| vestitol | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | anti-inflammatory agent;
phytoalexin;
plant metabolite |
| laudanine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate | |
| cryptopleurine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | antineoplastic agent;
antiviral agent;
protein synthesis inhibitor |
| 6-hydroxymethylmexiletine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-hydroxymexiletine | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| cloquintocet-mexyl | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines | |
| novaluron | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound | |
| bursehernin | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan | plant metabolite |
| 2,2',4,4'-tetrabromodiphenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| allocryptopine | [no description available] | low | 0 | 0 | aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | |
| sporidesmin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | mycotoxin;
Wnt signalling activator |
| syringaresinol | [no description available] | low | 0 | 0 | aromatic ether;
furofuran;
lignan;
polyether;
polyphenol | plant metabolite |
| p-methoxy-n-methylphenethylamine | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound | metabolite |
| aflatoxin q1 | [no description available] | low | 0 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human xenobiotic metabolite |
| u 73122 | [no description available] | low | 0 | 0 | aromatic ether;
aza-steroid;
maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
| cyfluthrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester insecticide |
| norverapamil | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
polyether;
secondary amino compound | |
| fumitremorgin a | [no description available] | low | 0 | 0 | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | mycotoxin |
| deguelin | [no description available] | low | 0 | 0 | aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite |
| aristolochic acid ii | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| tephrosin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
pesticide |
| alpha-hydroxymetoprolol | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(tetradecyloxy)-2-furancarboxylic acid | [no description available] | low | 0 | 0 | aromatic ether;
furoic acid | antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist |
| tafenoquine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound | |
| 5-hydroxymethylomeprazole | [no description available] | low | 0 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | drug metabolite |
| mosapride | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound | |
| ym 12617 | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound;
sulfonamide | |
| gefitinib | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| cgp 28392 | [no description available] | low | 0 | 0 | aromatic ether | |
| sodium-binding benzofuran isophthalate | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
crown compound;
tetracarboxylic acid | fluorochrome |
| garenoxacin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic | antibacterial drug;
non-steroidal anti-inflammatory drug |
| ay 25545 | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| reboxetine | [no description available] | low | 0 | 0 | aromatic ether | |
| b 823-08 | [no description available] | low | 0 | 0 | aromatic ether | |
| cyclazosin | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative | adenosine A2A receptor antagonist |
| ivabradine | [no description available] | low | 0 | 0 | aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound | cardiotonic drug |
| febuxostat | [no description available] | low | 0 | 0 | 1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
| marsupsin | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
polyphenol | antilipemic drug;
hypoglycemic agent;
metabolite |
| 6,6'-bieckol | [no description available] | low | 0 | 0 | aromatic ether;
oxacycle;
phlorotannin | anti-HIV-1 agent;
metabolite;
radical scavenger |
| xibenolol | [no description available] | low | 0 | 0 | aromatic ether | |
| cicloprolol | [no description available] | low | 0 | 0 | aromatic ether | |
| chs 828 | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-methoxyphenoxy)propanoic acid | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic acid | |
| moxifloxacin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug |
| 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 |
| 2,2',4,4',5,5'-hexabrominated diphenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| varespladib | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor |
| birb 796 | [no description available] | low | 0 | 0 | aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator |
| schizandrin b | [no description available] | low | 0 | 0 | aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin | anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite |
| s 23121 | [no description available] | low | 0 | 0 | aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound | |
| acrovestone | [no description available] | low | 0 | 0 | acetophenones;
aromatic ether;
olefinic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| corytuberine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound | plant metabolite |
| actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound | antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor |
| isohomovanillic acid | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
phenylacetic acids | metabolite |
| 3,5-diiodothyropropionic acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols | |
| 7,8-dihydro-5,6-dehydrokawain | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| 4-amino-2-methoxypyrimidine | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
methylcytosine | metabolite |
| aristolochic acid D | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
nephrotoxin;
toxin |
| myricanone | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols | antineoplastic agent;
plant metabolite |
| pannarin | [no description available] | low | 0 | 0 | aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite |
| aminopotentidine | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline | H2-receptor antagonist |
| aristolochic acid c | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| pluviatolide | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols | plant metabolite |
| erysodine | [no description available] | low | 0 | 0 | aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols | antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide |
| erlotinib | [no description available] | low | 0 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
| rubrofusarin B | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide | Aspergillus metabolite |
| ly 293111 | [no description available] | low | 0 | 0 | aromatic ether | |
| enrasentan | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol | antihypertensive agent;
endothelin receptor antagonist |
| quizalofop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative | |
| cyhalofop-butyl | [no description available] | low | 0 | 0 | aromatic ether | |
| cyperin | [no description available] | low | 0 | 0 | aromatic ether | |
| aflatoxin b1 | [no description available] | low | 0 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite |
| etravirine | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound | antiviral agent;
HIV-1 reverse transcriptase inhibitor |
| 5-o-methyllicoricidin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite |
| pronuciferine | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound | plant metabolite |
| dronedarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
environmental contaminant;
xenobiotic |
| famoxadone | [no description available] | low | 0 | 0 | aromatic ether;
carbohydrazide;
oxazolidinone | |
| cimicoxib | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| sorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide | angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor |
| dabuzalgron | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
monochlorobenzenes;
sulfonamide | alpha-adrenergic agonist |
| fonsecin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols | Aspergillus metabolite;
marine metabolite |
| lasofoxifene | [no description available] | low | 0 | 0 | aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins | antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist |
| (+-)-Dihydromethysticin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| 2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| 1-methyl-4-prop-2-enoxy-2-pyrimidinone | [no description available] | low | 0 | 0 | aromatic ether;
pyrimidone | |
| noscapine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite |
| 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| lariciresinol | [no description available] | low | 0 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
| tryptoquivaline | [no description available] | low | 0 | 0 | aromatic ether;
indole alkaloid;
organic heteropentacyclic compound | breast cancer resistance protein inhibitor;
mycotoxin |
| 2-methoxyestrone | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols | human metabolite;
mouse metabolite |
| win 54954 | [no description available] | low | 0 | 0 | aromatic ether | |
| silychristin | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger |
| cleomiscosin a | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol | anti-inflammatory agent;
metabolite |
| bispyribac | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines | herbicide |
| petunidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation;
aromatic ether;
beta-D-glucoside | antioxidant;
metabolite |
| malvidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation;
aromatic ether;
beta-D-glucoside | metabolite |
| dioncophylline c | [no description available] | low | 0 | 0 | aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols | antimalarial;
antiplasmodial drug;
metabolite |
| stigmatellin | [no description available] | low | 0 | 0 | aromatic ether;
chromones;
olefinic compound;
phenols | bacterial metabolite;
quinol oxidation site inhibitor |
| roflumilast | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound | anti-asthmatic drug;
phosphodiesterase IV inhibitor |
| teniposide | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| prinomastat | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor |
| posaconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles | trypanocidal drug |
| gancaonin I | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
plant metabolite |
| glycyrin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
hydroxyisoflavans | antibacterial agent;
metabolite;
plant metabolite |
| glyasperin D | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | plant metabolite |
| licoricidin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite |
| egonol | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol | plant metabolite |
| N-ethylharmine | [no description available] | low | 0 | 0 | aromatic ether;
beta-carbolines;
semisynthetic derivative | anti-HIV agent |
| pf 1163a | [no description available] | low | 0 | 0 | aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol | antifungal agent;
Penicillium metabolite |
| pf 1163b | [no description available] | low | 0 | 0 | aromatic ether;
lactam;
macrolide antibiotic | antifungal agent;
Penicillium metabolite |
| licocoumarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| 4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| LSM-22807 | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| piperlactam s | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols | anti-inflammatory agent;
antioxidant;
plant metabolite |
| 5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one | [no description available] | low | 0 | 0 | aromatic ether | |
| antofine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite |
| xanthohumol | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
polyphenol | anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite |
| 2-phenoxy-N-(2-pyridinyl)butanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether;
pyranopyrazole | |
| N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole | [no description available] | low | 0 | 0 | aromatic ether | |
| N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether;
pyranopyrazole | |
| 2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| (1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | [no description available] | low | 0 | 0 | aromatic ether;
triazolothiadiazole | |
| 4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | aromatic ether | |
| 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole | [no description available] | low | 0 | 0 | aromatic ether | |
| [4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(4-phenylmethoxyphenyl)thiadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-cyclopentyl-3-(4-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| Src Inhibitor-1 | [no description available] | low | 0 | 0 | aromatic ether;
polyether;
quinazolines;
secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone | [no description available] | low | 0 | 0 | aromatic ether | |
| N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-butyl-3-(4-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone | [no description available] | low | 0 | 0 | aromatic ether | |
| N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[2-(4-chlorophenoxy)ethylthio]pyrimidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione | [no description available] | low | 0 | 0 | aromatic ether | |
| N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine | [no description available] | low | 0 | 0 | aromatic ether | |
| N-butyl-4-phenoxy-1-butanamine | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine | [no description available] | low | 0 | 0 | aromatic ether | |
| N4-(2-methoxyphenyl)benzene-1,4-diamine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(3-fluorophenoxy)-8-nitroisoquinoline | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate | [no description available] | low | 0 | 0 | aromatic ether | |
| N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-aminophenoxy)isophthalonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[4-(3-ethoxyphenoxy)butyl]imidazole | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| toremifene | [no description available] | low | 0 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| dieckol | [no description available] | low | 0 | 0 | aromatic ether;
oxacycle;
phlorotannin | anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger |
| 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine | [no description available] | low | 0 | 0 | aromatic ether | |
| naproxol | [no description available] | low | 0 | 0 | aromatic ether | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| tamoxifen n-oxide | [no description available] | low | 0 | 0 | aromatic ether;
tertiary amine oxide | anti-estrogen;
metabolite |
| diafenthiuron | [no description available] | low | 0 | 0 | aromatic ether;
thiourea acaricide;
thiourea insecticide | oxidative phosphorylation inhibitor;
proinsecticide |
| ospemifene | [no description available] | low | 0 | 0 | aromatic ether;
organochlorine compound;
primary alcohol | anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator |
| tandutinib | [no description available] | low | 0 | 0 | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| zd 6474 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
| adefovir | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol | antimalarial;
Aspergillus metabolite;
marine metabolite |
| 3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether;
pyranopyrazole | |
| 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| quinoxyfen | [no description available] | low | 0 | 0 | aromatic ether;
monofluorobenzenes;
organochlorine compound;
quinolines | antifungal agrochemical |
| nafadotride | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound | dopaminergic antagonist |
| 1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-methyl-1,3-bis(phenylmethoxy)benzene | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[4-(2-chlorophenoxy)butyl]imidazole | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
monochlorobenzenes | |
| N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| hydroxypioglitazone | [no description available] | low | 0 | 0 | aromatic ether;
pyridines;
thiazolidinediones | human xenobiotic metabolite |
| sc 560 | [no description available] | low | 0 | 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] | low | 0 | 0 | aromatic ether | |
| 5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol | [no description available] | low | 0 | 0 | aromatic ether | |
| 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene | [no description available] | low | 0 | 0 | aromatic ether | |
| fraxin | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
hydroxycoumarin | anti-inflammatory agent;
hepatoprotective agent;
plant metabolite |
| fraxetin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent |
| 5,6-dehydrokawain | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| jtk-303 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | HIV-1 integrase inhibitor |
| coniferin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative | plant metabolite |
| daphnoretin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | antineoplastic agent;
antiviral agent;
metabolite |
| kavain | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| methysticin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| yangonin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| hinokiflavone | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid;
hydroxyflavone | antineoplastic agent;
metabolite;
neuroprotective agent |
| gentiacaulein | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| gentisin | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| isogentisin | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| mangostin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| 1,8-dihydroxy-3,7-dimethoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| swerchirin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | hypoglycemic agent;
metabolite |
| 1,2,8-trihydroxy-6-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | antioxidant;
plant metabolite |
| wedelolactone | [no description available] | low | 0 | 0 | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite |
| cyhalothrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| sofalcone | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
monocarboxylic acid | anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite |
| neticonazole | [no description available] | low | 0 | 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 |
| pibutidine | [no description available] | low | 0 | 0 | aromatic ether;
cyclobutenones;
olefinic compound;
piperidines;
primary amino compound;
pyridines;
secondary amino compound | anti-ulcer drug;
H2-receptor antagonist |
| purmorphamine | [no description available] | low | 0 | 0 | aromatic ether;
morpholines;
purines;
secondary amino compound | osteogenesis regulator;
SMO receptor agonist |
| 8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| ro 41-5253 | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
sulfone;
thiochromane | apoptosis inducer;
retinoic acid receptor alpha antagonist |
| glycycoumarin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
resorcinols | antispasmodic drug;
plant metabolite |
| isoginkgetin | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite |
| neoglycyrol | [no description available] | low | 0 | 0 | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
plant metabolite |
| rhamnazin | [no description available] | low | 0 | 0 | aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone | antineoplastic agent;
plant metabolite |
| bosutinib | [no description available] | low | 0 | 0 | aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor |
| bw b70c | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| lichexanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| alternariol monomethyl ether | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone | antifungal agent;
fungal metabolite;
mycotoxin |
| decussatin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| bedaquiline | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound | antitubercular agent;
ATP synthase inhibitor |
| dimethomorph | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
monochlorobenzenes;
morpholine fungicide;
tertiary carboxamide | |
| benanomicin b | [no description available] | low | 0 | 0 | aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | |
| pradimicin b | [no description available] | low | 0 | 0 | aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | |
| 1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | metabolite;
plant metabolite |
| pradimicin a | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol | |
| clodinafop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines | EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide |
| ici 118551 | [no description available] | low | 0 | 0 | aromatic ether;
indanes;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist |
| ochnaflavone | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid;
hydroxyflavone | anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite |
| 3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide | [no description available] | low | 0 | 0 | aromatic ether | |
| flavasperone | [no description available] | low | 0 | 0 | aromatic ether;
naphtho-gamma-pyrone;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite |
| 4-hydroxycordoin | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
polyphenol | anti-inflammatory agent;
antibacterial agent;
plant metabolite |
| n-feruloylserotonin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide | plant metabolite |
| tyrphostin ag825 | [no description available] | low | 0 | 0 | aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide | epidermal growth factor receptor antagonist |
| kresoxim-methyl | [no description available] | low | 0 | 0 | aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
| 5-methoxy-3,6-diphenyl-1,2,4-triazine | [no description available] | low | 0 | 0 | aromatic ether | |
| pyrachlostrobin | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
| piericidin a | [no description available] | low | 0 | 0 | aromatic ether;
methylpyridines;
monohydroxypyridine;
secondary allylic alcohol | antimicrobial agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor;
mitochondrial respiratory-chain inhibitor |
| metrafenone | [no description available] | low | 0 | 0 | aromatic ether;
aryl phenyl ketone fungicide;
benzophenones;
organobromine compound | antifungal agrochemical |
| 2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes | |
| b 43 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
| 5-(4-phenylbutoxy)psoralen | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
psoralens | geroprotector;
immunosuppressive agent;
potassium channel blocker |
| 5-ia-85380 | [no description available] | low | 0 | 0 | aromatic ether | |
| yunaconitine | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic |
| ru 58668 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone | anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist |
| altenusin | [no description available] | low | 0 | 0 | aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol | antifungal agent;
fungal metabolite |
| gw 501516 | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist |
| bay 58-2667 | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound | antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent |
| camostat | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| lenvatinib | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist |
| nsc 716970 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound | antineoplastic agent |
| lobeglitazone | [no description available] | low | 0 | 0 | aromatic ether | |
| noviflumuron | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
organofluorine compound | |
| etomoxir | [no description available] | low | 0 | 0 | aromatic ether | |
| fr 148083 | [no description available] | low | 0 | 0 | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor |
| 9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether;
indole alkaloid;
organic heterotetracyclic compound | antineoplastic agent;
antiplasmodial drug;
metabolite |
| sb 3ct compound | [no description available] | low | 0 | 0 | aromatic ether | |
| varespladib methyl | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug |
| dapagliflozin | [no description available] | low | 0 | 0 | aromatic ether;
C-glycosyl compound;
monochlorobenzenes | hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor |
| naveglitazar | [no description available] | low | 0 | 0 | aromatic ether | |
| tivozanib | [no description available] | low | 0 | 0 | aromatic ether | |
| zm 447439 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor |
| ustiloxin b | [no description available] | low | 0 | 0 | aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide | Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin |
| hypothemycin | [no description available] | low | 0 | 0 | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite |
| tryprostatin a | [no description available] | low | 0 | 0 | aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | breast cancer resistance protein inhibitor |
| cediranib | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-iodothyronamine | [no description available] | low | 0 | 0 | aromatic ether | |
| n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride | [no description available] | low | 0 | 0 | aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound | antipsychotic agent;
receptor modulator |
| rubraxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | antibacterial agent;
antineoplastic agent;
metabolite |
| 7,8-Dihydroyangonin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| sch 51344 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound | antineoplastic agent |
| ancistroealaine a | [no description available] | low | 0 | 0 | aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes | antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug |
| pimavanserin | [no description available] | low | 0 | 0 | aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas | 5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist |
| tolfenpyrad | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide | agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor |
| SIS3 free base | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide | Smad3 inhibitor |
| apixaban | [no description available] | low | 0 | 0 | aromatic ether;
lactam;
piperidones;
pyrazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| bibw 2992 | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor |
| dihydrokavain | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| troglitazone sulfate | [no description available] | low | 0 | 0 | aromatic ether;
thiazolidinone | |
| arisugacin | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol | antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite |
| saracatinib | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent |
| fonsecinone a | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol | antibacterial agent;
Aspergillus metabolite |
| crenolanib | [no description available] | low | 0 | 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 |
| aiphanol | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxine;
lignan;
stilbenoid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor |
| nigerloxin | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes | antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger |
| msdc-0160 | [no description available] | low | 0 | 0 | aromatic ether | |
| dihydroxanthohumol | [no description available] | low | 0 | 0 | aromatic ether;
dihydrochalcones;
polyphenol | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite |
| PB28 | [no description available] | low | 0 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
| 7-phloroeckol | [no description available] | low | 0 | 0 | aromatic ether;
phlorotannin | antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite |
| 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol | antineoplastic agent;
metabolite |
| PDGF receptor tyrosine kinase inhibitor III | [no description available] | low | 0 | 0 | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| fluoxastrobin | [no description available] | low | 0 | 0 | aromatic ether;
dioxazine;
monochlorobenzenes;
organofluorine compound;
oxime O-ether;
pyrimidines;
strobilurin antifungal agent | antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor |
| flumorph | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide | |
| regorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor |
| erastin | [no description available] | low | 0 | 0 | aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide | antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor |
| brivanib | [no description available] | low | 0 | 0 | aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist |
| fg-4592 | [no description available] | low | 0 | 0 | aromatic ether;
isoquinolines;
N-acylglycine | EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor |
| picoxystrobin | [no description available] | low | 0 | 0 | aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines | antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor |
| cenicriviroc | [no description available] | low | 0 | 0 | aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide | anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist |
| mandipropamid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound | |
| glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride;
aromatic ether;
enoate ester;
phenols | antioxidant;
plant metabolite;
ultraviolet filter |
| ki 8751 | [no description available] | low | 0 | 0 | aromatic ether | |
| ceratamine a | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine | antimitotic;
metabolite |
| azd 8931 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist |
| bay94 9172 | [no description available] | low | 0 | 0 | (18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline | radioactive imaging agent |
| olodaterol | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| dorsomorphin | [no description available] | low | 0 | 0 | aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines | bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
| cj-042794 | [no description available] | low | 0 | 0 | aromatic ether | |
| hu 308 | [no description available] | low | 0 | 0 | aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid | anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist |
| ki11502 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
quinolines;
thioureas | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| apremilast | [no description available] | low | 0 | 0 | aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone | non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor |
| PF-00835231 | [no description available] | low | 0 | 0 | aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate | antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| chir-265 | [no description available] | low | 0 | 0 | aromatic ether | |
| aminocandin | [no description available] | low | 0 | 0 | aromatic ether;
echinocandin;
homodetic cyclic peptide | antiinfective agent |
| zk 756326 | [no description available] | low | 0 | 0 | aromatic ether | |
| bay 60-6583 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide | adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent |
| empagliflozin | [no description available] | low | 0 | 0 | aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether | hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor |
| 4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| bgt226 | [no description available] | low | 0 | 0 | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| n-desmethylrosiglitazone | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| verruculogen | [no description available] | low | 0 | 0 | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker |
| 1-O-feruloyl-beta-D-glucose | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols | antioxidant;
plant metabolite |
| 2,2',4,5'-tetrabromodiphenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| hexabromodiphenyl ether 154 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| bde 183 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| l-798106 | [no description available] | low | 0 | 0 | aromatic ether;
bromobenzenes;
N-sulfonylcarboxamide | prostaglandin receptor antagonist |
| aflatoxin m1 | [no description available] | low | 0 | 0 | aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol | Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite |
| macitentan | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides | antihypertensive agent;
endothelin receptor antagonist;
orphan drug |
| CDN1163 | [no description available] | low | 0 | 0 | aromatic ether;
quinolines;
secondary carboxamide | SERCA activator |
| e 7050 | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| dafadine C | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
difluorobenzene;
isoxazoles;
N-acylpiperidine;
pyridines | P450 inhibitor |
| dafadine B | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
monochlorobenzenes;
monofluorobenzenes;
N-acylpiperidine;
pyridines | P450 inhibitor |
| 3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| violaceol II | [no description available] | low | 0 | 0 | aromatic ether;
catechols;
resorcinols | mycotoxin |
| pamapimod | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound | antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| gsk690693 | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| cnf 2024 | [no description available] | low | 0 | 0 | 2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines | antineoplastic agent;
Hsp90 inhibitor |
| uk 453,061 | [no description available] | low | 0 | 0 | aromatic ether | |
| 8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound | |
| zm323881 | [no description available] | low | 0 | 0 | aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline | vascular endothelial growth factor receptor antagonist |
| compound w | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| interiotherin b | [no description available] | low | 0 | 0 | aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle | anti-HIV agent;
metabolite |
| 5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one | [no description available] | low | 0 | 0 | aromatic ether;
homoisoflavonoid;
polyphenol | angiogenesis modulating agent;
plant metabolite |
| ph 797804 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone | anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| diorcinol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | fungal metabolite;
marine metabolite;
metabolite |
| 2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| mk 5108 | [no description available] | low | 0 | 0 | aromatic ether | |
| lde225 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist |
| 1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines | geroprotector;
P450 inhibitor |
| dafadine D | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
organofluorine compound;
pyridines | P450 inhibitor |
| 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| dafadine O | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines;
ring assembly | P450 inhibitor |
| 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| pci 32765 | [no description available] | low | 0 | 0 | acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| florbetapir f 18 | [no description available] | low | 0 | 0 | (18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline | radioactive imaging agent |
| AMG-208 | [no description available] | low | 0 | 0 | aromatic ether;
quinolines;
triazolopyridazine | antineoplastic agent;
c-Met tyrosine kinase inhibitor |
| 6-methoxyspirotryprostatin b | [no description available] | low | 0 | 0 | aromatic ether;
azaspiro compound;
indole alkaloid;
indolones | antineoplastic agent;
Aspergillus metabolite |
| lucitanib | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines | antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist |
| act-132577 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound;
pyrimidines;
sulfamides | antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite |
| cabozantinib | [no description available] | low | 0 | 0 | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| poziotinib | [no description available] | low | 0 | 0 | acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist |
| gsk 2126458 | [no description available] | low | 0 | 0 | aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide | anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent |
| gsk 1363089 | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea | [no description available] | low | 0 | 0 | aromatic ether | |
| monepantel | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide | anthelminthic drug;
nematicide |
| an2728 | [no description available] | low | 0 | 0 | aromatic ether;
benzoxaborole;
nitrile | antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor |
| grazoprevir | [no description available] | low | 0 | 0 | aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative | antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent |
| hordatine a | [no description available] | low | 0 | 0 | aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols | adrenergic antagonist;
metabolite |
| 5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone | [no description available] | low | 0 | 0 | aromatic ether | |
| tak-632 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor |
| lrrk2-in1 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| quinolobactin | [no description available] | low | 0 | 0 | aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid | bacterial metabolite;
siderophore |
| AZD1979 | [no description available] | low | 0 | 0 | aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes | melanin-concentrating hormone receptor antagonist |
| ML240 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound | antineoplastic agent |
| aripiprazole lauroxil | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist |
| abt-199 | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| xl765 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| DMH1 | [no description available] | low | 0 | 0 | aromatic ether;
pyrazolopyrimidine;
quinolines | antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor |
| 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes | |
| pf 4800567 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| propenylphosphonic acid | [no description available] | low | 0 | 0 | aromatic ether | |
| abt-333 | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide | antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor |
| naloxegol | [no description available] | low | 0 | 0 | aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol | cathartic;
mu-opioid receptor antagonist |
| ceritinib | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| MK-8353 | [no description available] | low | 0 | 0 | aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| HG-10-102-01 | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide | [no description available] | low | 0 | 0 | aromatic ether | |
| saroglitazar | [no description available] | low | 0 | 0 | aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles | hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist |
| fertaric acid | [no description available] | low | 0 | 0 | aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative | |
| 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles | |
| pf-06463922 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| DDR1-IN-1 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| ldc4297 | [no description available] | low | 0 | 0 | aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound | antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| MLI-2 | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| ap20187 | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound | ligand |
| biliatresone | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols | plant metabolite;
toxin |
| tak 491 | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane | angiotensin receptor antagonist;
antihypertensive agent;
prodrug |
| azilsartan | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent |
| hydrazinocurcumin | [no description available] | low | 0 | 0 | aromatic ether;
olefinic compound;
polyphenol;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| mirodenafil | [no description available] | low | 0 | 0 | aromatic ether;
N-alkylpiperazine;
primary alcohol;
pyrrolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
| cerulomycin | [no description available] | low | 0 | 0 | aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid | antineoplastic agent;
bacterial metabolite;
marine metabolite |
| undecylprodigiosin | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
tripyrrole | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent |
| sb-590885 | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound | |
| 2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | [no description available] | low | 0 | 0 | aromatic ether | |
| PF-07304814 | [no description available] | low | 0 | 0 | aromatic ether;
indolecarboxamide;
L-leucine derivative;
phosphate monoester;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
prodrug |