Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
bupropion | [no description available] | medium | 1 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
aminocaproic acid | [no description available] | medium | 2 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
tacrine | [no description available] | medium | 3 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acebutolol | [no description available] | medium | 3 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
acetaminophen | [no description available] | medium | 4 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
acetohydroxamic acid | [no description available] | medium | 1 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
albuterol | [no description available] | medium | 5 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
alendronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
alprazolam | [no description available] | medium | 3 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
amantadine | [no description available] | medium | 3 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
amifostine anhydrous | [no description available] | medium | 1 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
aminoglutethimide | [no description available] | medium | 1 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
theophylline | [no description available] | medium | 5 | 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 |
theophylline | [no description available] | medium | 5 | 2 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
amiodarone | [no description available] | medium | 3 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amitriptyline | [no description available] | medium | 3 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amlexanox | [no description available] | medium | 1 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
amlodipine | [no description available] | medium | 3 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
amoxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
anastrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
apraclonidine | [no description available] | medium | 1 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
aspirin | [no description available] | medium | 4 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
astemizole | [no description available] | medium | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
atenolol | [no description available] | medium | 3 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azathioprine | [no description available] | medium | 1 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
azelastine | [no description available] | medium | 3 | 0 | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
bepridil | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
betaxolol | [no description available] | medium | 3 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bicalutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
bisoprolol | [no description available] | medium | 3 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
brimonidine | [no description available] | medium | 1 | 0 | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent |
bumetanide | [no description available] | medium | 3 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
buspirone | [no description available] | medium | 1 | 0 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
busulfan | [no description available] | medium | 3 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
butenafine | [no description available] | medium | 1 | 0 | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
verapamil | [no description available] | medium | 5 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
carbamazepine | [no description available] | medium | 5 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
carmustine | [no description available] | medium | 2 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
carteolol | [no description available] | medium | 1 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
carvedilol | [no description available] | medium | 3 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
cetirizine | [no description available] | medium | 1 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlormezanone | [no description available] | medium | 1 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
ciclopirox | [no description available] | medium | 1 | 0 | cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone | antibacterial agent; antiseborrheic |
cinoxacin | [no description available] | medium | 1 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
ciprofloxacin | [no description available] | medium | 4 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
cisapride | [no description available] | medium | 1 | 0 | benzamides | |
clofazimine | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
clomipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clonidine | [no description available] | medium | 3 | 0 | clonidine; imidazoline | |
chlorazepate | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
cyclobenzaprine | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
diazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diclofenac | [no description available] | medium | 5 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
diflunisal | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dipivefrin | [no description available] | medium | 1 | 0 | ethanolamines; pivalate ester | adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent |
disopyramide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
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 |
valproic acid | [no description available] | medium | 3 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
doxazosin | [no description available] | medium | 2 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
doxepin | [no description available] | medium | 3 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
droperidol | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
econazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
enflurane | [no description available] | medium | 1 | 0 | ether; organochlorine compound; organofluorine compound | anaesthetic |
enoxacin | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
estazolam | [no description available] | medium | 1 | 0 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
etodolac | [no description available] | medium | 1 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
felbamate | [no description available] | medium | 1 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
felodipine | [no description available] | medium | 3 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
fenfluramine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
fentanyl | [no description available] | medium | 4 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fentanyl | [no description available] | medium | 4 | 1 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fexofenadine | [no description available] | medium | 1 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
flecainide | [no description available] | medium | 3 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
fluconazole | [no description available] | medium | 3 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flucytosine | [no description available] | medium | 3 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
flumazenil | [no description available] | medium | 3 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
fluorouracil | [no description available] | medium | 3 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
fluphenazine depot | [no description available] | medium | 1 | 0 | decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug |
fluphenazine enanthate | [no description available] | medium | 1 | 0 | phenothiazines | |
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 |
flutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
foscarnet | [no description available] | medium | 3 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
furosemide | [no description available] | medium | 8 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
furosemide | [no description available] | medium | 8 | 1 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
gabapentin | [no description available] | medium | 3 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
gemfibrozil | [no description available] | medium | 1 | 0 | aromatic ether | antilipemic drug |
glimepiride | [no description available] | medium | 3 | 0 | sulfonamide | |
glipizide | [no description available] | medium | 3 | 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 | 3 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
granisetron | [no description available] | medium | 3 | 0 | aromatic amide; indazoles | |
guanfacine | [no description available] | medium | 3 | 0 | acetamides | |
haloperidol | [no description available] | medium | 3 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
halothane | [no description available] | medium | 1 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroxyurea | [no description available] | medium | 3 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
hydroxyzine | [no description available] | medium | 1 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
ibuprofen | [no description available] | medium | 4 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
phenelzine | [no description available] | medium | 1 | 0 | primary amine | |
ifosfamide | [no description available] | medium | 3 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
amrinone | [no description available] | medium | 3 | 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] | medium | 4 | 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 |
iodixanol | [no description available] | high | 116 | 0 | organoiodine compound | radioopaque medium |
iodixanol | [no description available] | high | 116 | 28 | organoiodine compound | radioopaque medium |
iohexol | [no description available] | high | 1,632 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iohexol | [no description available] | high | 1,632 | 203 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
ioversol | [no description available] | medium | 32 | 0 | amidobenzoic acid | |
ioversol | [no description available] | medium | 32 | 5 | amidobenzoic acid | |
isoflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
isoniazid | [no description available] | medium | 2 | 0 | carbohydrazide | antitubercular agent; drug allergen |
isradipine | [no description available] | medium | 3 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
itraconazole | [no description available] | medium | 3 | 0 | piperazines | |
ketoconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoprofen | [no description available] | medium | 3 | 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 |
ketorolac | [no description available] | medium | 3 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
labetalol | [no description available] | medium | 3 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
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 | 3 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lomefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
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 |
losartan | [no description available] | medium | 3 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
loxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
maprotiline | [no description available] | medium | 2 | 0 | anthracenes | |
mebendazole | [no description available] | medium | 3 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meclofenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
mefenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
mesalamine | [no description available] | medium | 2 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
metformin | [no description available] | medium | 3 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
metoclopramide | [no description available] | medium | 3 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metoprolol | [no description available] | medium | 3 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
metronidazole | [no description available] | medium | 3 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
mexiletine | [no description available] | medium | 3 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
midazolam | [no description available] | medium | 3 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
midodrine | [no description available] | medium | 1 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
mirtazapine | [no description available] | medium | 3 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
mitoxantrone | [no description available] | medium | 3 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nefazodone | [no description available] | medium | 3 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nevirapine | [no description available] | medium | 3 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nicardipine | [no description available] | medium | 3 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
nifedipine | [no description available] | medium | 3 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nilutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nimodipine | [no description available] | medium | 3 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
nisoldipine | [no description available] | medium | 3 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nizatidine | [no description available] | medium | 3 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
masoprocol | [no description available] | medium | 1 | 0 | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
nortriptyline | [no description available] | medium | 3 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
ofloxacin | [no description available] | medium | 4 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
omeprazole | [no description available] | medium | 3 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
ondansetron | [no description available] | medium | 2 | 0 | carbazoles | |
oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
pamidronate | [no description available] | medium | 2 | 0 | phosphonoacetic acid | |
pemoline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | central nervous system stimulant |
pentamidine | [no description available] | medium | 2 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
pentoxifylline | [no description available] | medium | 2 | 0 | oxopurine | |
perphenazine | [no description available] | medium | 3 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
pindolol | [no description available] | medium | 3 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pirbuterol | [no description available] | medium | 1 | 0 | pyridines | |
prazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
prazosin | [no description available] | medium | 3 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
probenecid | [no description available] | medium | 3 | 0 | benzoic acids; sulfonamide | uricosuric drug |
procainamide | [no description available] | medium | 3 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
procarbazine | [no description available] | medium | 1 | 0 | benzamides; hydrazines | antineoplastic agent |
propafenone | [no description available] | medium | 2 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
propofol | [no description available] | medium | 2 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
sch 16134 | [no description available] | medium | 1 | 0 | benzodiazepine | |
ranitidine | [no description available] | medium | 3 | 0 | aralkylamine | |
riluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
rimantadine | [no description available] | medium | 1 | 0 | alkylamine | |
risperidone | [no description available] | medium | 3 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | |
sevoflurane | [no description available] | medium | 1 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
sulfadiazine | [no description available] | medium | 3 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; 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; xenobiotic |
sotalol | [no description available] | medium | 3 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
sulconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
sulfasalazine | [no description available] | medium | 1 | 0 | | |
sumatriptan | [no description available] | medium | 3 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
suprofen | [no description available] | medium | 3 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
tazarotene | [no description available] | medium | 1 | 0 | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
temazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
terazosin | [no description available] | medium | 3 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
thioridazine | [no description available] | medium | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
thiotepa | [no description available] | medium | 3 | 0 | aziridines | |
ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tioconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles; thiophenes | |
tiopronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
tizanidine | [no description available] | medium | 3 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
ultram | [no description available] | medium | 3 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
trazodone | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
triazolam | [no description available] | medium | 3 | 0 | triazolobenzodiazepine | sedative |
trientine | [no description available] | medium | 1 | 0 | polyazaalkane; tetramine | copper chelator |
trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
trimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant; geroprotector |
trimetrexate | [no description available] | medium | 3 | 0 | | |
trimipramine | [no description available] | medium | 2 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
venlafaxine | [no description available] | medium | 3 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
ici 204,219 | [no description available] | medium | 1 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zolpidem | [no description available] | medium | 3 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
zomepirac | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
floxuridine | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
prednisone | [no description available] | medium | 4 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
pilocarpine | [no description available] | medium | 1 | 0 | pilocarpine | antiglaucoma drug |
vincristine | [no description available] | medium | 2 | 0 | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
testosterone propionate | [no description available] | medium | 1 | 0 | steroid ester | |
bretylium tosylate | [no description available] | medium | 1 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
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 |
medroxyprogesterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
methylprednisolone | [no description available] | medium | 3 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
estradiol dipropionate | [no description available] | medium | 1 | 0 | steroid ester | |
nafcillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
methohexital | [no description available] | medium | 2 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
estradiol 17 beta-cypionate | [no description available] | medium | 1 | 0 | steroid ester | |
testosterone enanthate | [no description available] | medium | 1 | 0 | heptanoate ester; sterol ester | androgen |
betamethasone | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse 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 |
levocarnitine | [no description available] | medium | 1 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
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 |
acetylcysteine | [no description available] | medium | 14 | 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 |
acetylcysteine | [no description available] | medium | 14 | 8 | 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 |
erythromycin | [no description available] | medium | 4 | 0 | cyclic ketone; erythromycin | |
levonorgestrel | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
ethambutol | [no description available] | medium | 3 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
dronabinol | [no description available] | medium | 2 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
pimozide | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
betamethasone valerate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester | anti-inflammatory drug |
methylprednisolone hemisuccinate | [no description available] | medium | 1 | 0 | corticosteroid hormone; hemisuccinate | |
stavudine | [no description available] | medium | 3 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
cladribine | [no description available] | medium | 3 | 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 |
estradiol enanthate | [no description available] | medium | 1 | 0 | steroid ester | |
betamethasone-17,21-dipropionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester | antipsoriatic |
olsalazine | [no description available] | medium | 2 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
zalcitabine | [no description available] | medium | 2 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
selegiline | [no description available] | medium | 3 | 0 | selegiline; terminal acetylenic compound | geroprotector |
levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
cephalexin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
isosorbide-5-mononitrate | [no description available] | medium | 3 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
danazol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
cephapirin | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
bromocriptine | [no description available] | medium | 1 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
ursodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
metipranolol | [no description available] | medium | 1 | 0 | acetate ester; aromatic ether; propanolamine; secondary amino compound | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
halazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
du-21220 | [no description available] | medium | 2 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
cefazolin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
amoxicillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
timolol | [no description available] | medium | 3 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
moricizine | [no description available] | medium | 1 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
bitolterol | [no description available] | medium | 1 | 0 | carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug |
zidovudine | [no description available] | medium | 3 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
tobramycin | [no description available] | medium | 3 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
paclitaxel | [no description available] | medium | 22 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
paclitaxel | [no description available] | medium | 22 | 3 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
etoposide | [no description available] | medium | 2 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
dobutamine | [no description available] | medium | 1 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
penbutolol | [no description available] | medium | 1 | 0 | ethanolamines | |
ribavirin | [no description available] | medium | 3 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
guanadrel | [no description available] | medium | 1 | 0 | guanidines; spiroketal | adrenergic antagonist; antihypertensive agent |
methyldopa | [no description available] | medium | 3 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
tocainide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
sq-11725 | [no description available] | medium | 3 | 0 | | |
diltiazem | [no description available] | medium | 5 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
levobunolol | [no description available] | medium | 1 | 0 | aromatic ether; cyclic ketone; propanolamine | antiglaucoma drug; beta-adrenergic antagonist |
vecuronium bromide | [no description available] | medium | 2 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent; nicotinic antagonist |
permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
sufentanil | [no description available] | medium | 3 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
torsemide | [no description available] | medium | 3 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
cefmetazole | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
desflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
idarubicin | [no description available] | medium | 3 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
cefonicid | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
piperacillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
paroxetine | [no description available] | medium | 3 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
captopril | [no description available] | medium | 3 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
cefoperazone | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
lodoxamide | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
atracurium | [no description available] | medium | 2 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
butoconazole | [no description available] | medium | 1 | 0 | aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes | |
naftifine | [no description available] | medium | 1 | 0 | allylamine antifungal drug; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor |
pergolide | [no description available] | medium | 1 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
cefadroxil anhydrous | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug |
encainide | [no description available] | medium | 3 | 0 | benzamides; piperidines | anti-arrhythmia drug; sodium channel blocker |
nedocromil | [no description available] | medium | 1 | 0 | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug |
cefaclor anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug; drug allergen |
alfentanil | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
cefotetan | [no description available] | medium | 2 | 0 | | |
lovastatin | [no description available] | medium | 3 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
levocabastine | [no description available] | medium | 1 | 0 | piperidines | |
simvastatin | [no description available] | medium | 2 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
pravastatin | [no description available] | medium | 3 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
cabergoline | [no description available] | medium | 1 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
quinapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
fosphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
finasteride | [no description available] | medium | 3 | 0 | 3-oxo steroid; aza-steroid; delta-lactam | androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
esmolol | [no description available] | medium | 2 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
adapalene | [no description available] | medium | 1 | 0 | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
sparfloxacin | [no description available] | medium | 3 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
zileuton | [no description available] | medium | 1 | 0 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
cidofovir anhydrous | [no description available] | medium | 3 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
topotecan | [no description available] | medium | 3 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
gemcitabine | [no description available] | medium | 3 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
ibutilide | [no description available] | medium | 3 | 0 | benzenes; organic amino compound | |
remifentanil | [no description available] | medium | 3 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
atorvastatin | [no description available] | medium | 2 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
lamivudine | [no description available] | medium | 3 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
irinotecan | [no description available] | medium | 3 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
valsartan | [no description available] | medium | 3 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
adenosine | [no description available] | medium | 10 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
adenosine | [no description available] | medium | 10 | 1 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
cefprozil | [no description available] | medium | 2 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
methylprednisolone aceponate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
dexamethasone 17-valerate | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
dexamethasone dipropionate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
iopamidol | [no description available] | high | 153 | 0 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
iopamidol | [no description available] | high | 153 | 33 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
dexfenfluramine | [no description available] | medium | 2 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
sertraline | [no description available] | medium | 1 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
erythromycin propionate | [no description available] | medium | 1 | 0 | erythromycin derivative | |
dexrazoxane | [no description available] | medium | 3 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
antebate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
atovaquone | [no description available] | medium | 3 | 0 | hydroxy-1,2-naphthoquinone | |
flunisolide | [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; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
clarithromycin | [no description available] | medium | 2 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
nicotine | [no description available] | medium | 4 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
moexipril | [no description available] | medium | 1 | 0 | peptide | |
methotrexate | [no description available] | medium | 3 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
docetaxel | [no description available] | medium | 3 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
levofloxacin | [no description available] | medium | 3 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
ropivacaine | [no description available] | medium | 3 | 0 | piperidinecarboxamide; ropivacaine | local anaesthetic |
ropivacaine | [no description available] | medium | 3 | 1 | piperidinecarboxamide; ropivacaine | local anaesthetic |
estradiol 3-benzoate | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
estramustine | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
pentostatin | [no description available] | medium | 1 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
quinidine | [no description available] | medium | 3 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
meropenem | [no description available] | medium | 3 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
cefoxitin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
saquinavir | [no description available] | medium | 2 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
netilmicin | [no description available] | medium | 3 | 0 | | |
metyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
rocuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent |
terconazole | [no description available] | medium | 1 | 0 | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
bacampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | prodrug |
erythromycin ethylsuccinate | [no description available] | medium | 1 | 0 | cyclic ketone; erythromycin derivative; ethyl ester; succinate ester | |
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 |
betamethasone acetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone | |
acarbose | [no description available] | medium | 2 | 0 | amino cyclitol; glycoside | |
tretinoin | [no description available] | medium | 1 | 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 |
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 |
mupirocin | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
fosfomycin | [no description available] | medium | 3 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
zithromax | [no description available] | medium | 3 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
teniposide | [no description available] | medium | 3 | 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 |
cefamandole | [no description available] | medium | 3 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
melphalan | [no description available] | medium | 3 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
sch 22219 | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester | anti-inflammatory drug |
mezlocillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
cholinophyllin | [no description available] | medium | 1 | 0 | | |
fludarabine | [no description available] | medium | 2 | 0 | purine nucleoside | |
propylthiouracil | [no description available] | medium | 3 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
etomidate | [no description available] | medium | 2 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
mercaptopurine | [no description available] | medium | 3 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
thiothixene | [no description available] | medium | 1 | 0 | N-methylpiperazine | anticoronaviral agent |
benztropine | [no description available] | medium | 1 | 0 | diarylmethane | |
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 |
enclomiphene | [no description available] | medium | 1 | 0 | | |
terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
thioguanine anhydrous | [no description available] | medium | 1 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
succimer | [no description available] | medium | 1 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
streptozocin | [no description available] | medium | 1 | 0 | | |
tamoxifen | [no description available] | medium | 1 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
ethionamide | [no description available] | medium | 1 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
dezocine | [no description available] | medium | 1 | 0 | phenols; primary amino compound | opioid analgesic |
dapiprazole | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-arylpiperazine; pyridines | alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug |
flosequinan | [no description available] | medium | 1 | 0 | quinolines | |
calcitriol | [no description available] | medium | 1 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
alprostadil | [no description available] | medium | 2 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
pulmicort | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
olopatadine | [no description available] | medium | 1 | 0 | | |
bw b1090u | [no description available] | medium | 1 | 0 | isoquinolines | |
7432 s | [no description available] | medium | 1 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
etretinate | [no description available] | medium | 1 | 0 | enoate ester; ethyl ester; retinoid | keratolytic drug |
isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
misoprostol | [no description available] | medium | 1 | 0 | | |
epoprostenol | [no description available] | medium | 1 | 0 | prostaglandins I | mouse metabolite |
betamethasone benzoate | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
hydromorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
ly 163892 | [no description available] | medium | 1 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
nalmefene | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
topiramate | [no description available] | medium | 1 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
calcipotriene | [no description available] | medium | 1 | 0 | cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol | antipsoriatic; drug allergen |
clobetasol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
fluticasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester | anti-allergic agent; anti-asthmatic drug |
halobetasol | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
latanoprost | [no description available] | medium | 1 | 0 | isopropyl ester; prostaglandins Falpha; triol | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug |
nalbuphine | [no description available] | medium | 3 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
rimexolone | [no description available] | medium | 1 | 0 | 20-oxo steroid | |
vinorelbine | [no description available] | medium | 3 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
fluvoxamine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
oxiconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
naltrexone | [no description available] | medium | 2 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
butorphanol | [no description available] | medium | 3 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
cefixime | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug; drug allergen |
lisinopril | [no description available] | medium | 3 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
benazepril | [no description available] | medium | 1 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
ramipril | [no description available] | medium | 1 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
indinavir sulfate | [no description available] | medium | 3 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
enalapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
cefuroxime | [no description available] | medium | 3 | 0 | 3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether | drug allergen |
ceftriaxone | [no description available] | medium | 3 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
cefepime | [no description available] | medium | 3 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
ceftazidime | [no description available] | medium | 3 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
trandolapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
guanabenz | [no description available] | medium | 1 | 0 | dichlorobenzene | |
famotidine | [no description available] | medium | 3 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cefotaxime | [no description available] | medium | 3 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
aztreonam | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
cci 15641 | [no description available] | medium | 1 | 0 | cephalosporin | |
cefpodoxime | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
dirithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | prodrug |
cefpodoxime proxetil | [no description available] | medium | 1 | 0 | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug |
ceftizoxime | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug |
nitrofurantoin | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
dantrolene | [no description available] | medium | 2 | 0 | | |
fosinopril | [no description available] | medium | 1 | 0 | | |
nystatin a1 | [no description available] | medium | 1 | 0 | nystatins | |
mesna | [no description available] | medium | 1 | 0 | organosulfonic acid | |
cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug; prodrug |
tetracycline | [no description available] | medium | 3 | 0 | | |
minocycline | [no description available] | medium | 2 | 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 |
meclocycline | [no description available] | medium | 1 | 0 | | |
warfarin | [no description available] | medium | 4 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
acyclovir | [no description available] | medium | 3 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
rifampin | [no description available] | medium | 3 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
clozapine | [no description available] | medium | 3 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
didanosine | [no description available] | medium | 3 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
ganciclovir | [no description available] | medium | 3 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
valacyclovir | [no description available] | medium | 1 | 0 | L-valyl ester | antiviral drug |
olanzapine | [no description available] | medium | 1 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
penciclovir | [no description available] | medium | 3 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
allopurinol | [no description available] | medium | 3 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
rifabutin | [no description available] | medium | 3 | 0 | | |
quinacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
enprofylline | [no description available] | medium | 2 | 0 | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
acetazolamide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
alfuzosin | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
alprenolol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
diatrizoic acid | [no description available] | high | 53 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
diatrizoic acid | [no description available] | high | 53 | 10 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
amsacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
antipyrine | [no description available] | medium | 2 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
bevantolol | [no description available] | medium | 2 | 0 | propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker |
biperiden | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
bromazepam | [no description available] | medium | 2 | 0 | organic molecular entity | |
bromopride | [no description available] | medium | 2 | 0 | benzamides | |
brotizolam | [no description available] | medium | 1 | 0 | organic molecular entity | |
buflomedil | [no description available] | medium | 2 | 0 | aromatic ketone | |
bunazosin | [no description available] | medium | 1 | 0 | quinazolines | |
bupivacaine | [no description available] | medium | 2 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
caffeine | [no description available] | medium | 3 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
metrizoate | [no description available] | medium | 3 | 0 | monocarboxylic acid | radioopaque medium |
chlorambucil | [no description available] | medium | 2 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlordiazepoxide | [no description available] | medium | 2 | 0 | benzodiazepine | |
chloroquine | [no description available] | medium | 2 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chlorpheniramine | [no description available] | medium | 2 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpromazine | [no description available] | medium | 2 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chlorpropamide | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 2 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
cifenline | [no description available] | medium | 2 | 0 | diarylmethane | |
cimetidine | [no description available] | medium | 2 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
citalopram | [no description available] | medium | 2 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
clonazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
dapsone | [no description available] | medium | 2 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
desipramine | [no description available] | medium | 2 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
nordazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
amphetamine | [no description available] | medium | 1 | 0 | primary amine | |
diazoxide | [no description available] | medium | 2 | 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 |
diphenhydramine | [no description available] | medium | 4 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
domperidone | [no description available] | medium | 2 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
doxapram | [no description available] | medium | 1 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
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 |
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 |
etilefrine | [no description available] | medium | 2 | 0 | phenols | |
berotek | [no description available] | medium | 1 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
fenspiride | [no description available] | medium | 1 | 0 | azaspiro compound | |
fleroxacin | [no description available] | medium | 2 | 0 | difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines | antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
flunitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
fluorescite | [no description available] | medium | 1 | 0 | benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye | fluorescent dye; radioopaque medium |
hexobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
hydralazine | [no description available] | medium | 2 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
hydroxychloroquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
hypericin | [no description available] | medium | 1 | 0 | | |
lidocaine | [no description available] | medium | 3 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
imipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
iothalamic acid | [no description available] | medium | 23 | 0 | organic molecular entity | |
iothalamic acid | [no description available] | medium | 23 | 3 | organic molecular entity | |
avapro | [no description available] | medium | 1 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
isoproterenol | [no description available] | medium | 1 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
ketamine | [no description available] | medium | 1 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketanserin | [no description available] | medium | 2 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
letrozole | [no description available] | medium | 2 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
lorazepam | [no description available] | medium | 2 | 0 | benzodiazepine | |
meperidine | [no description available] | medium | 2 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
mepivacaine | [no description available] | medium | 2 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
mepivacaine | [no description available] | medium | 2 | 1 | piperidinecarboxamide | drug allergen; local anaesthetic |
meprobamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
methadone | [no description available] | medium | 2 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
methapyrilene | [no description available] | medium | 1 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
methylphenidate | [no description available] | medium | 2 | 0 | beta-amino acid ester; methyl ester; piperidines | |
metolazone | [no description available] | medium | 2 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
milrinone | [no description available] | medium | 2 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
moclobemide | [no description available] | medium | 2 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
acecainide | [no description available] | medium | 2 | 0 | acetamides; benzamides | anti-arrhythmia drug |
naratriptan | [no description available] | medium | 2 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
nefopam | [no description available] | medium | 1 | 0 | benzoxazocine; tertiary amino compound | |
nitrazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nitrendipine | [no description available] | medium | 3 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nitrendipine | [no description available] | medium | 3 | 1 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nomifensine | [no description available] | medium | 2 | 0 | isoquinolines | dopamine uptake inhibitor |
oxazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxiracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
oxybutynin | [no description available] | medium | 1 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
pantoprazole | [no description available] | medium | 2 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
papaverine | [no description available] | medium | 4 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
papaverine | [no description available] | medium | 4 | 1 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
phenacetin | [no description available] | medium | 1 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
moxonidine | [no description available] | medium | 2 | 0 | organohalogen compound; pyrimidines | |
pimobendan | [no description available] | medium | 1 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
piretanide | [no description available] | medium | 2 | 0 | aromatic ether | |
prilocaine | [no description available] | medium | 1 | 0 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
primaquine | [no description available] | medium | 1 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
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 |
procyclidine | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
promazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
promethazine | [no description available] | medium | 2 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propranolol | [no description available] | medium | 3 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
pyridostigmine | [no description available] | medium | 2 | 0 | pyridinium ion | |
pyrimethamine | [no description available] | medium | 1 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
rabeprazole | [no description available] | medium | 2 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
rizatriptan | [no description available] | medium | 2 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
risedronic acid | [no description available] | medium | 2 | 0 | pyridines | |
imatinib | [no description available] | medium | 2 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulfamethoxazole | [no description available] | medium | 4 | 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 |
sulfinpyrazone | [no description available] | medium | 2 | 0 | pyrazolidines; sulfoxide | uricosuric drug |
sulfisoxazole | [no description available] | medium | 2 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
suramin | [no description available] | medium | 2 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
gatifloxacin | [no description available] | medium | 2 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
terbutaline | [no description available] | medium | 2 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
thalidomide | [no description available] | medium | 1 | 0 | phthalimides; piperidones | |
tinidazole | [no description available] | medium | 2 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
tolbutamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
tranexamic acid | [no description available] | medium | 1 | 0 | amino acid | |
triamterene | [no description available] | medium | 2 | 0 | pteridines | diuretic; sodium channel blocker |
trimethoprim | [no description available] | medium | 6 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
urapidil | [no description available] | medium | 1 | 0 | piperazines | |
viloxazine | [no description available] | medium | 1 | 0 | aromatic ether | |
zaleplon | [no description available] | medium | 2 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
zopiclone | [no description available] | medium | 2 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
prednisolone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
cephaloridine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
penicillin g | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
chloramphenicol | [no description available] | medium | 2 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
ethinyl estradiol | [no description available] | medium | 3 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
apomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
cephalothin | [no description available] | medium | 1 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
levodopa | [no description available] | medium | 2 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
methicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
colchicine | [no description available] | medium | 1 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
oxacillin | [no description available] | medium | 2 | 0 | penicillin | antibacterial agent; antibacterial drug |
ampicillin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
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 |
phencyclidine | [no description available] | medium | 2 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
dichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound | astringent; marine metabolite |
penicillin v | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | |
isosorbide dinitrate | [no description available] | medium | 1 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
ergotamine | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
pirinitramide | [no description available] | medium | 2 | 0 | nitrile | |
edrophonium bromide | [no description available] | medium | 1 | 0 | | |
azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
galantamine | [no description available] | medium | 2 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
dextropropoxyphene | [no description available] | medium | 1 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
ketobemidone | [no description available] | medium | 1 | 0 | piperidines | |
chlormethiazole | [no description available] | medium | 2 | 0 | thiazoles | |
methamphetamine | [no description available] | medium | 1 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
lithium carbonate | [no description available] | medium | 1 | 0 | carbonate salt; lithium salt | antimanic drug |
lormetazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; organochlorine compound | sedative |
vinblastine | [no description available] | medium | 2 | 0 | | |
vancomycin | [no description available] | medium | 2 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
metylperon | [no description available] | medium | 1 | 0 | aromatic ketone | |
spectinomycin | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
benperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
chlordesmethyldiazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
doxifluridine | [no description available] | medium | 2 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
dicloxacillin | [no description available] | medium | 2 | 0 | dichlorobenzene; penicillin | antibacterial drug |
streptomycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
carbenicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
floxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
beclomethasone dipropionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester | anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug |
terodiline | [no description available] | medium | 2 | 0 | diarylmethane | |
1-(4-carboxyphenyl)-3,3-dimethyltriazene | [no description available] | medium | 1 | 0 | | |
metocurine iodide | [no description available] | medium | 2 | 0 | aromatic ether | |
apazone | [no description available] | medium | 1 | 0 | benzotriazines | non-steroidal anti-inflammatory drug; uricosuric drug |
pregnanolone | [no description available] | medium | 1 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
ribostamycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | antibacterial drug; antimicrobial agent; metabolite |
indoramin | [no description available] | medium | 1 | 0 | tryptamines | |
toloxatone | [no description available] | medium | 2 | 0 | oxazolidinone; primary alcohol; toluenes | |
sisomicin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative | |
amdinocillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug; antiinfective agent |
ticarcillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
trimazosin | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
adinazolam | [no description available] | medium | 2 | 0 | triazolobenzodiazepine | anticonvulsant; antidepressant; anxiolytic drug; sedative |
amikacin | [no description available] | medium | 1 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
tolamolol | [no description available] | medium | 1 | 0 | | |
cephradine | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
sulbenicillin | [no description available] | medium | 2 | 0 | penicillin | |
meptazinol | [no description available] | medium | 2 | 0 | azepanes | |
medroxalol | [no description available] | medium | 1 | 0 | salicylamides | |
epirubicin | [no description available] | medium | 4 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
lorcainide | [no description available] | medium | 2 | 0 | acetamides | |
ceforanide | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
moxalactam | [no description available] | medium | 2 | 0 | cephalosporin; oxacephem | antibacterial drug |
endralazine | [no description available] | medium | 1 | 0 | benzamides | |
pefloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone | antibacterial drug; antiinfective agent; DNA synthesis inhibitor |
recainam | [no description available] | medium | 2 | 0 | | |
flupirtine | [no description available] | medium | 2 | 0 | aminopyridine | |
enoximone | [no description available] | medium | 2 | 0 | aromatic ketone | |
idazoxan | [no description available] | medium | 1 | 0 | benzodioxine; imidazolines | alpha-adrenergic antagonist |
remoxipride | [no description available] | medium | 2 | 0 | dimethoxybenzene | |
bambuterol | [no description available] | medium | 1 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
atomoxetine | [no description available] | medium | 2 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
trospectomycin | [no description available] | medium | 1 | 0 | dioxanes | |
sematilide | [no description available] | medium | 2 | 0 | | |
clinafloxacin | [no description available] | medium | 2 | 0 | quinolines | |
adefovir | [no description available] | medium | 2 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
loxiglumide | [no description available] | medium | 1 | 0 | organic molecular entity | |
tiagabine | [no description available] | medium | 2 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
mibefradil | [no description available] | medium | 1 | 0 | tetralins | T-type calcium channel blocker |
bromfenac | [no description available] | medium | 2 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
aripiprazole | [no description available] | medium | 1 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
ibandronic acid | [no description available] | medium | 1 | 0 | | |
ziprasidone | [no description available] | medium | 2 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
zanamivir | [no description available] | medium | 2 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
zolmitriptan | [no description available] | medium | 2 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
tirofiban | [no description available] | medium | 2 | 0 | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
cisatracurium | [no description available] | medium | 1 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
fosinoprilat | [no description available] | medium | 1 | 0 | L-proline derivative; phosphinic acids | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
trovafloxacin | [no description available] | medium | 2 | 0 | | |
imipramine n-oxide | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
dexloxiglumide | [no description available] | medium | 2 | 0 | glutamic acid derivative | |
intoplicine | [no description available] | medium | 1 | 0 | pyridoindole | |
repaglinide | [no description available] | medium | 2 | 0 | piperidines | |
telmisartan | [no description available] | medium | 2 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
ethinyl estradiol-17-sulfate | [no description available] | medium | 1 | 0 | | |
ethinylestradiol-3-sulfate | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; steroid sulfate | antineoplastic agent; estrogen |
cefcanel | [no description available] | medium | 1 | 0 | | |
zoledronic acid | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
epristeride | [no description available] | medium | 2 | 0 | steroid acid | |
talinolol | [no description available] | medium | 2 | 0 | ureas | |
denaverine | [no description available] | medium | 1 | 0 | diarylmethane | |
diprafenone | [no description available] | medium | 2 | 0 | aromatic compound | |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
uk 68798 | [no description available] | medium | 2 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
ljc 10627 | [no description available] | medium | 2 | 0 | carbapenems; organic sulfide; pyrazolotriazole | antibacterial drug |
voriconazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
bufuralol | [no description available] | medium | 2 | 0 | benzofurans | |
panipenem | [no description available] | medium | 1 | 0 | organic molecular entity | |
perindoprilat | [no description available] | medium | 1 | 0 | dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound | antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
7-hydroxystaurosporine | [no description available] | medium | 1 | 0 | | |
methotrimeprazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist |
9-aminocamptothecin | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
sch 34343 | [no description available] | medium | 2 | 0 | | |
squalamine | [no description available] | medium | 1 | 0 | bile acid | |
rivastigmine | [no description available] | medium | 2 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
frovatriptan | [no description available] | medium | 2 | 0 | carbazoles | |
eletriptan | [no description available] | medium | 1 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
rosiglitazone | [no description available] | medium | 2 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
mci 9038 | [no description available] | medium | 1 | 0 | peptide | |
imipenem, anhydrous | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
bosentan anhydrous | [no description available] | medium | 1 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
asulacrine | [no description available] | medium | 1 | 0 | acridines | |
hydroxycotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | |
quinaprilat | [no description available] | medium | 2 | 0 | dicarboxylic acid; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent |
2-hydroxyimipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | |
ecteinascidin 743 | [no description available] | medium | 1 | 0 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite |
almotriptan | [no description available] | medium | 2 | 0 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
mk 0663 | [no description available] | medium | 1 | 0 | bipyridines; organochlorine compound; sulfone | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
gefitinib | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
tamsulosin | [no description available] | medium | 2 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
sulbactam | [no description available] | medium | 2 | 0 | penicillanic acids | |
dilevalol | [no description available] | medium | 1 | 0 | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | |
irofulven | [no description available] | medium | 1 | 0 | cyclohexenones | |
ym 872 | [no description available] | medium | 1 | 0 | | |
ertapenem | [no description available] | medium | 1 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
dx 8951 | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
cilomilast | [no description available] | medium | 2 | 0 | methoxybenzenes | |
conivaptan | [no description available] | medium | 1 | 0 | benzazepine | aquaretic; vasopressin receptor antagonist |
tezosentan | [no description available] | medium | 1 | 0 | | |
sabarubicin | [no description available] | medium | 1 | 0 | | |
moxifloxacin | [no description available] | medium | 2 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
clevidipine | [no description available] | medium | 1 | 0 | dihydropyridine | |
solifenacin | [no description available] | medium | 2 | 0 | isoquinolines | |
xamoterol | [no description available] | medium | 2 | 0 | morpholines | |
abanoquil | [no description available] | medium | 1 | 0 | | |
anidulafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative | |
atropine | [no description available] | medium | 2 | 0 | | |
melagatran | [no description available] | medium | 2 | 0 | azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor |
tesaglitazar | [no description available] | medium | 2 | 0 | | |
bms204352 | [no description available] | medium | 1 | 0 | | |
fosfluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; triazole antifungal drug; triazoles | prodrug |
cp 101,606 | [no description available] | medium | 2 | 0 | | |
nsc-89199 | [no description available] | medium | 1 | 0 | carbamate ester; organochlorine compound; steroid phosphate | |
phenethicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
acivicin | [no description available] | medium | 1 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
bortezomib | [no description available] | medium | 1 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
pancuronium | [no description available] | medium | 1 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
rocuronium | [no description available] | medium | 1 | 0 | 3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound | drug allergen; muscle relaxant; neuromuscular agent |
abacavir | [no description available] | medium | 2 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
miglitol | [no description available] | medium | 2 | 0 | piperidines | |
linezolid | [no description available] | medium | 2 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
tolterodine | [no description available] | medium | 2 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
darifenacin | [no description available] | medium | 1 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
fluticasone propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester | adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug |
tacrolimus | [no description available] | medium | 2 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
cerivastatin | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
rosuvastatin | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide | anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic |
cocaine | [no description available] | medium | 3 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
clindamycin | [no description available] | medium | 2 | 0 | | |
bms 214662 | [no description available] | medium | 1 | 0 | benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
eptifibatide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor |
gs 4071 | [no description available] | medium | 2 | 0 | acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite |
decitabine | [no description available] | medium | 2 | 0 | 2'-deoxyribonucleoside | |
sm 8668 | [no description available] | medium | 1 | 0 | | |
troxacitabine | [no description available] | medium | 1 | 0 | carbohydrate derivative; nucleobase-containing molecular entity | |
tiazofurin | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
sitafloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
tenofovir | [no description available] | medium | 2 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
dibekacin | [no description available] | medium | 1 | 0 | kanamycins | antibacterial agent; protein synthesis inhibitor |
micafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
tropisetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
leuprolide | [no description available] | medium | 1 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
cotinine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
methimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
drotaverin | [no description available] | medium | 2 | 0 | isoquinolines | |
digoxin | [no description available] | medium | 2 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
cancidas | [no description available] | medium | 1 | 0 | | |
lincomycin | [no description available] | medium | 1 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
thiopental | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
hmr 3647 | [no description available] | medium | 2 | 0 | | |
nelarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine | [no description available] | medium | 2 | 0 | aromatic ether | |
dolasetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
or 1259 | [no description available] | medium | 1 | 0 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent |
gestodene | [no description available] | medium | 1 | 0 | steroid | estrogen |
quinine | [no description available] | medium | 2 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
isepamicin | [no description available] | medium | 1 | 0 | | |
ifetroban | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
lamifiban | [no description available] | medium | 1 | 0 | N-acylglycine | |
telavancin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent |
sitagliptin | [no description available] | medium | 2 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
tolcapone | [no description available] | medium | 2 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
quercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
clavulanic acid | [no description available] | medium | 2 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
eprosartan | [no description available] | medium | 2 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
montelukast | [no description available] | medium | 2 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
mivacurium | [no description available] | medium | 1 | 0 | isoquinolines | |
entacapone | [no description available] | medium | 2 | 0 | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
paricalcitol | [no description available] | medium | 2 | 0 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
sdz psc 833 | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
codeine | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
cyclosporine | [no description available] | medium | 2 | 0 | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
naloxone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
oxycodone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
alvocidib | [no description available] | medium | 1 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
morphine | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
cicaprost | [no description available] | medium | 1 | 0 | monoterpenoid | |
dexmedetomidine | [no description available] | medium | 1 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
iloprost | [no description available] | medium | 3 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
iloprost | [no description available] | medium | 3 | 1 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
nateglinide | [no description available] | medium | 2 | 0 | phenylalanine derivative | |
romidepsin | [no description available] | medium | 1 | 0 | cyclodepsipeptide; heterocyclic antibiotic; organic disulfide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
morphine-6-glucuronide | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
cefodizime | [no description available] | medium | 1 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor |
methylnaltrexone | [no description available] | medium | 1 | 0 | phenanthrenes | |
enalaprilat anhydrous | [no description available] | medium | 2 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
hr 810 | [no description available] | medium | 1 | 0 | cephalosporin; cyclopentapyridine | |
cefetamet | [no description available] | medium | 2 | 0 | cephalosporin | |
ginkgolide b | [no description available] | medium | 1 | 0 | | |
palonosetron | [no description available] | medium | 1 | 0 | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
cefatrizine | [no description available] | medium | 2 | 0 | amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles | antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor |
eniporide | [no description available] | medium | 1 | 0 | | |
cilastatin | [no description available] | medium | 2 | 0 | carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic |
ixabepilone | [no description available] | medium | 1 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
azlocillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial drug |
verlukast | [no description available] | medium | 1 | 0 | | |
carumonam | [no description available] | medium | 1 | 0 | monobactam | antibacterial drug |
eritoran | [no description available] | medium | 1 | 0 | lipid As | |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
dexniguldipine | [no description available] | medium | 1 | 0 | diarylmethane | |
napsagatran | [no description available] | medium | 1 | 0 | | |
temsirolimus | [no description available] | medium | 1 | 0 | macrolide lactam | |
bms188797 | [no description available] | medium | 1 | 0 | | |
azimilide | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
tomopenem | [no description available] | medium | 2 | 0 | | |
bb-83698 | [no description available] | medium | 1 | 0 | | |
zotarolimus | [no description available] | medium | 1 | 0 | lactam; macrolide | |
gentamicin sulfate | [no description available] | medium | 2 | 0 | | |
bn 52020 | [no description available] | medium | 1 | 0 | | |
vindesine | [no description available] | medium | 1 | 0 | | |
scopolamine hydrobromide | [no description available] | medium | 2 | 0 | | |
scopolamine hydrobromide | [no description available] | medium | 2 | 1 | | |
bisaramil | [no description available] | medium | 1 | 0 | | |
teicoplanin | [no description available] | medium | 2 | 0 | | |
ly-146032 | [no description available] | medium | 2 | 0 | heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide | antibacterial drug; bacterial metabolite; calcium-dependent antibiotics |
dalbavancin | [no description available] | medium | 1 | 0 | carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative | antibacterial drug; antimicrobial agent |
cetrorelix | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
chlortetracycline | [no description available] | medium | 1 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 2 | 0 | | |
roquinimex | [no description available] | medium | 1 | 0 | aromatic amide | |
mobic | [no description available] | medium | 2 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
mobiflex | [no description available] | medium | 2 | 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 |
isoxicam | [no description available] | medium | 2 | 0 | benzothiazine; isoxazoles; monocarboxylic acid amide | antirheumatic drug; non-steroidal anti-inflammatory drug |
demeclocycline | [no description available] | medium | 1 | 0 | | |
rolitetracycline | [no description available] | medium | 1 | 0 | | |
tigecycline | [no description available] | medium | 2 | 0 | | |
dacarbazine | [no description available] | medium | 1 | 0 | dacarbazine | |
sildenafil | [no description available] | medium | 2 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
vardenafil | [no description available] | medium | 2 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
leucovorin | [no description available] | medium | 2 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
tegaserod | [no description available] | medium | 2 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
tirapazamine | [no description available] | medium | 1 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
ceftobiprole | [no description available] | medium | 1 | 0 | cephalosporin; thiadiazoles | antimicrobial agent |
dan 2163 | [no description available] | medium | 1 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
practolol | [no description available] | medium | 1 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
sulpiride | [no description available] | medium | 1 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
chlorine | [no description available] | medium | 2 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
chlorine | [no description available] | medium | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
iomeprol | [no description available] | high | 66 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iomeprol | [no description available] | high | 66 | 10 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
cardiovascular agents | [no description available] | medium | 7 | 2 | | |
mannitol | [no description available] | medium | 9 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
iobitridol | [no description available] | high | 22 | 0 | benzenedicarboxamide; hexol; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iobitridol | [no description available] | high | 22 | 6 | benzenedicarboxamide; hexol; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
ioxitalamic acid | [no description available] | high | 10 | 0 | acetamides; benzoic acids; dicarboxylic acid monoamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
n,n-dimethylarginine | [no description available] | medium | 1 | 0 | dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | 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 |
n(g),n(g')-dimethyl-l-arginine | [no description available] | medium | 1 | 0 | alpha-amino acid | |
piperidines | [no description available] | medium | 2 | 0 | | |
amikacin | [no description available] | medium | 1 | 0 | | |
iodine | [no description available] | medium | 39 | 10 | diatomic iodine | nutrient |
meglumine | [no description available] | medium | 12 | 1 | hexosamine; secondary amino compound | |
gadolinium dtpa | [no description available] | medium | 70 | 4 | gadolinium coordination entity | MRI contrast agent |
urea | [no description available] | medium | 1 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
bilirubin | [no description available] | medium | 2 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
gadolinium 1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate | [no description available] | medium | 3 | 0 | | |
gadoxetic acid disodium | [no description available] | medium | 7 | 0 | | |
butyryl-n-trihexylcitrate | [no description available] | medium | 2 | 0 | | |
acetosulfame | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound; organonitrogen heterocyclic compound; oxacycle; sulfamate ester | environmental contaminant; sweetening agent; xenobiotic |
sodium pertechnetate tc 99m | [no description available] | medium | 4 | 1 | | |
bismuth | [no description available] | medium | 1 | 0 | metal atom; pnictogen | |
singlet oxygen | [no description available] | medium | 1 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
carbon-11 methionine | [no description available] | medium | 1 | 0 | | |
methionine | [no description available] | medium | 1 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
gadolinium | [no description available] | medium | 17 | 0 | f-block element atom; lanthanoid atom | |
regorafenib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
yttrium radioisotopes | [no description available] | medium | 3 | 0 | | |
3-iodobenzylguanidine | [no description available] | medium | 1 | 0 | organoiodine compound | |
fluorodeoxyglucose f18 | [no description available] | medium | 31 | 5 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
sulfur hexafluoride | [no description available] | medium | 9 | 0 | sulfur coordination entity | greenhouse gas; NMR chemical shift reference compound; ultrasound contrast agent |
nitinol | [no description available] | medium | 5 | 0 | | |
hydrogen carbonate | [no description available] | medium | 3 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyrroles | [no description available] | medium | 2 | 0 | pyrrole; secondary amine | |
malondialdehyde | [no description available] | medium | 1 | 0 | dialdehyde | biomarker |
erlotinib hydrochloride | [no description available] | medium | 2 | 2 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
quinazolines | [no description available] | medium | 2 | 2 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
diatrizoate meglumine | [no description available] | medium | 42 | 0 | monocarboxylic acid anion | radioopaque medium |
diatrizoate meglumine | [no description available] | medium | 42 | 7 | monocarboxylic acid anion | radioopaque medium |
titanium | [no description available] | medium | 3 | 0 | titanium group element atom | |
titanium dioxide | [no description available] | medium | 3 | 0 | titanium oxides | food colouring |
brine | [no description available] | medium | 1 | 0 | | |
iotrolan | [no description available] | medium | 42 | 8 | organic molecular entity | |
fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
choline | [no description available] | medium | 1 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
histamine | [no description available] | medium | 4 | 1 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
sirolimus | [no description available] | medium | 3 | 0 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
cremophor el | [no description available] | medium | 1 | 0 | | |
glycerol | [no description available] | medium | 2 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
acrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
iodine | [no description available] | medium | 2 | 0 | halide anion; monoatomic iodine | human metabolite |
polidocanol | [no description available] | medium | 1 | 0 | hydroxypolyether | hepatotoxic agent; nonionic surfactant; sclerotherapy agent |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | |
losartan potassium | [no description available] | medium | 1 | 1 | | |
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 |
ammonium chloride | [no description available] | medium | 1 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
nicorandil | [no description available] | medium | 1 | 1 | nitrate ester; pyridinecarboxamide | potassium channel opener; vasodilator agent |
hydroxyl radical | [no description available] | medium | 2 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
boron | [no description available] | medium | 1 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
nitrates | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
ioxilan | [no description available] | medium | 7 | 1 | amidobenzoic acid | |
barium sulfate | [no description available] | medium | 10 | 0 | barium salt; inorganic barium salt; metal sulfate | radioopaque medium |
barium sulfate | [no description available] | medium | 10 | 2 | barium salt; inorganic barium salt; metal sulfate | radioopaque medium |
taurocholic acid | [no description available] | medium | 2 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
technetium | [no description available] | medium | 2 | 0 | manganese group element atom | |
iridium | [no description available] | medium | 1 | 0 | cobalt group element atom; platinum group metal atom | |
clofibric acid | [no description available] | medium | 3 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
iridium oxide | [no description available] | medium | 1 | 0 | | |
sodium bicarbonate | [no description available] | medium | 2 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
ioxaglate | [no description available] | high | 50 | 0 | benzenedicarboxamide; benzoic acids; organoiodine compound | radioopaque medium |
ioxaglate | [no description available] | high | 50 | 17 | benzenedicarboxamide; benzoic acids; organoiodine compound | radioopaque medium |
angiotensin ii | [no description available] | medium | 2 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
su 11248 | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
sorafenib | [no description available] | medium | 3 | 1 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
niacinamide | [no description available] | medium | 3 | 1 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
dihydroxyphenylalanine | [no description available] | medium | 1 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
fluorodopa f 18 | [no description available] | medium | 1 | 0 | (18)F radiopharmaceutical; 6-fluoro-L-dopa | |
ammonium hydroxide | [no description available] | medium | 1 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
l 743,872 | [no description available] | medium | 1 | 0 | | |
triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
endothelin-1 | [no description available] | medium | 2 | 0 | | |
iosmin | [no description available] | medium | 2 | 0 | amidobenzoic acid | |
ozone | [no description available] | medium | 3 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
benzoylecgonine | [no description available] | medium | 1 | 0 | benzoate ester; tropane alkaloid | epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite |
thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
trypan blue | [no description available] | medium | 1 | 0 | | |
thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
probucol | [no description available] | medium | 1 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
ascorbic acid | [no description available] | medium | 1 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
acetyl triethyl citrate | [no description available] | medium | 1 | 0 | | |
everolimus | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
technetium tc 99m pentetate | [no description available] | medium | 1 | 0 | | |
thyroxine | [no description available] | medium | 4 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
d-alpha tocopherol | [no description available] | medium | 2 | 1 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
sulfites | [no description available] | medium | 1 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
sodium citrate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | anticoagulant; flavouring agent |
gadofosveset trisodium | [no description available] | medium | 1 | 0 | | |
beta carotene | [no description available] | medium | 1 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
2-aminoethoxydiphenyl borate | [no description available] | medium | 1 | 0 | organoboron compound; primary amino compound | calcium channel blocker; IP3 receptor antagonist; potassium channel opener |
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 |
iopentol | [no description available] | medium | 13 | 3 | amidobenzoic acid | |
methylcellulose | [no description available] | medium | 3 | 0 | | |
gadolinium oxide | [no description available] | medium | 1 | 0 | | |
rolipram | [no description available] | medium | 1 | 1 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
mesopram | [no description available] | medium | 1 | 1 | | |
oxazoles | [no description available] | medium | 1 | 1 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
bq 123 | [no description available] | medium | 2 | 0 | cyclic peptide | |
gold | [no description available] | medium | 1 | 0 | copper group element atom; elemental gold | |
psyllium | [no description available] | medium | 1 | 0 | very long-chain fatty acid | |
1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 1 | 0 | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
chromozym th | [no description available] | medium | 1 | 0 | | |
h-d-phe-pip-arg-pna | [no description available] | medium | 1 | 0 | | |
imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
sodium perchlorate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
triiodothyronine | [no description available] | medium | 3 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
creatine | [no description available] | medium | 1 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
fibrinogen | [no description available] | medium | 3 | 0 | iditol | fungal metabolite |
cesium | [no description available] | medium | 1 | 0 | alkali metal atom | |
cesium iodide | [no description available] | medium | 1 | 0 | | |
silicon | [no description available] | medium | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
phenprocoumon | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
trimetazidine | [no description available] | medium | 1 | 1 | aromatic amine | |
povidone-iodine | [no description available] | medium | 2 | 0 | | |
methylene blue | [no description available] | medium | 1 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
potassium iodide | [no description available] | medium | 1 | 0 | potassium salt | expectorant; radical scavenger |
palladium | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
aluminum oxide | [no description available] | medium | 1 | 0 | | |
nickel | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
nitroglycerin | [no description available] | medium | 2 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
5-amino-2,4,6-triiodoisophthalic acid | [no description available] | medium | 1 | 0 | | |
tartaric acid | [no description available] | medium | 1 | 0 | tartaric acid | Escherichia coli metabolite |
meglumine ioglicinate | [no description available] | medium | 3 | 0 | | |
muramidase | [no description available] | medium | 2 | 0 | | |
metrizamide | [no description available] | medium | 5 | 0 | amino sugar | |
ioglicic acid | [no description available] | medium | 2 | 2 | amidobenzoic acid | |
acetrizoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
iodamide | [no description available] | high | 2 | 0 | benzoic acids; organoiodine compound | radioopaque medium |
iothalamate meglumine | [no description available] | medium | 10 | 0 | amidobenzoic acid | |
pentetic acid | [no description available] | medium | 13 | 0 | pentacarboxylic acid | copper chelator |
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 |
gentamicin | [no description available] | medium | 1 | 0 | | |
aldosterone | [no description available] | medium | 2 | 1 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
cyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
atrial natriuretic factor | [no description available] | medium | 1 | 0 | polypeptide | |
pituitrin | [no description available] | medium | 1 | 0 | | |
arabinose | [no description available] | medium | 1 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
urografin 76 | [no description available] | medium | 2 | 1 | | |
fibrin | [no description available] | medium | 1 | 1 | peptide | |
edetic acid | [no description available] | medium | 1 | 1 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
cellulose | [no description available] | medium | 2 | 0 | glycoside | |
dipyridamole | [no description available] | medium | 2 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
technetium tc 99m mertiatide | [no description available] | medium | 2 | 0 | | |
technetium tc 99m dimercaptosuccinic acid | [no description available] | medium | 1 | 0 | | |
triiodothyronine, reverse | [no description available] | medium | 1 | 0 | 3,3',5'-triiodothyronine; amino acid zwitterion | |
ng-nitroarginine methyl ester | [no description available] | medium | 1 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
chromium | [no description available] | medium | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
meglumine ioxithalamate | [no description available] | medium | 2 | 0 | | |
iosimide | [no description available] | medium | 4 | 2 | | |
americium | [no description available] | medium | 1 | 0 | actinoid atom; f-block element atom | |
arginine vasopressin | [no description available] | medium | 1 | 1 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
evans blue | [no description available] | medium | 2 | 0 | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
diethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
iodecol | [no description available] | medium | 1 | 0 | | |
iodipamide | [no description available] | medium | 0 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
perflexane | [no description available] | low | 0 | 0 | fluoroalkane; fluorocarbon; volatile organic compound | non-polar solvent; radioopaque medium |
perflubron | [no description available] | low | 0 | 0 | haloalkane; organobromine compound; perfluorinated compound | blood substitute; radioopaque medium |
perfluoropentane | [no description available] | low | 0 | 0 | fluoroalkane; fluorocarbon | radioopaque medium; ultrasound contrast agent |
fluorescein | [no description available] | low | 0 | 0 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
perfluorophenanthrene | [no description available] | low | 0 | 0 | fluorocarbon | radioopaque medium |
meglumine iodipamide | [no description available] | low | 0 | 0 | organoammonium salt | radioopaque medium |
amidotrizoic acid dihydrate | [no description available] | low | 0 | 0 | hydrate | radioopaque medium |
sodium diatrizoate | [no description available] | medium | 0 | 0 | organic sodium salt; organoiodine compound | radioopaque medium |
methoxyflurane | [no description available] | low | 0 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
nitrilotriacetic acid | [no description available] | low | 0 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
2,3,4-trimethylpentane | [no description available] | low | 0 | 0 | alkane; volatile organic compound | mammalian metabolite; nephrotoxic agent |
tetrachloroethylene | [no description available] | low | 0 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
adefovir dipivoxil | [no description available] | low | 0 | 0 | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
2,8-dihydroxyadenine | [no description available] | low | 0 | 0 | 6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine | human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent |
2-(s-glutathionyl)hydroquinone | [no description available] | low | 0 | 0 | aryl sulfide; glutathione conjugate; hydroquinones | human xenobiotic metabolite; nephrotoxic agent |
sgx 523 | [no description available] | low | 0 | 0 | aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine | c-Met tyrosine kinase inhibitor; nephrotoxic agent |
octane | [no description available] | low | 0 | 0 | alkane | xenobiotic |
2-nitropropane | [no description available] | low | 0 | 0 | secondary nitroalkane | carcinogenic agent; hepatotoxic agent; polar aprotic solvent; xenobiotic |
dibenzofuran | [no description available] | low | 0 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
acetochlor | [no description available] | low | 0 | 0 | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
alachlor | [no description available] | low | 0 | 0 | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
antazoline | [no description available] | low | 0 | 0 | aromatic amine; imidazolines; tertiary amino compound | cholinergic antagonist; H1-receptor antagonist; xenobiotic |
atrazine | [no description available] | low | 0 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
bentazone | [no description available] | low | 0 | 0 | benzothiadiazine | environmental contaminant; herbicide; xenobiotic |
candesartan | [no description available] | low | 0 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
chloral hydrate | [no description available] | low | 0 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
chlorpyrifos | [no description available] | low | 0 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
clotrimazole | [no description available] | low | 0 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
diazinon | [no description available] | low | 0 | 0 | organic thiophosphate; pyrimidines | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic |
dicamba | [no description available] | low | 0 | 0 | dichlorobenzene; methoxybenzoic acid | agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic |
dichlobanil | [no description available] | low | 0 | 0 | dichlorobenzene; nitrile | agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
dimethoate | [no description available] | low | 0 | 0 | monocarboxylic acid amide; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
diuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
fenofibrate | [no description available] | low | 0 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
tetramisole | [no description available] | low | 0 | 0 | imidazothiazole | environmental contaminant; xenobiotic |
methomyl | [no description available] | low | 0 | 0 | aliphatic sulfide; carbamate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic |
deet | [no description available] | low | 0 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
1-(3-trifluoromethylphenyl)piperazine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; N-arylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
oxybenzone | [no description available] | low | 0 | 0 | hydroxybenzophenone; monomethoxybenzene | dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic |
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 |
prometone | [no description available] | low | 0 | 0 | diamino-1,3,5-triazine; methoxy-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
prometryne | [no description available] | low | 0 | 0 | diamino-1,3,5-triazine; methylthio-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
propachlor | [no description available] | low | 0 | 0 | anilide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
propazine | [no description available] | low | 0 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
saccharin | [no description available] | low | 0 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
simazine | [no description available] | low | 0 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
sulfadimethoxine | [no description available] | low | 0 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfamethazine | [no description available] | low | 0 | 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 |
sulfapyridine | [no description available] | low | 0 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
sulfathiazole | [no description available] | low | 0 | 0 | 1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
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 |
trifluralin | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; C-nitro compound; substituted aniline | agrochemical; environmental contaminant; herbicide; xenobiotic |
reserpine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
aminopyrine | [no description available] | low | 0 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
barbituric acid | [no description available] | low | 0 | 0 | barbiturates | allergen; xenobiotic |
bisphenol a | [no description available] | low | 0 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
pseudoephedrine | [no description available] | low | 0 | 0 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
2-methyl-4-chlorophenoxy gamma-butyric acid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; xenobiotic |
benzotriazole | [no description available] | low | 0 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
3,4-dichloroaniline | [no description available] | low | 0 | 0 | dichloroaniline | epitope; xenobiotic |
acetophenone | [no description available] | low | 0 | 0 | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
phenylhydrazine | [no description available] | low | 0 | 0 | phenylhydrazines | xenobiotic |
triclocarban | [no description available] | low | 0 | 0 | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
fenuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic |
cyanuric acid | [no description available] | low | 0 | 0 | 1,3,5-triazinanes; 1,3,5-triazines; heteroaryl hydroxy compound | xenobiotic |
diglyme | [no description available] | low | 0 | 0 | polyether | environmental contaminant; solvent; xenobiotic |
propylene | [no description available] | low | 0 | 0 | alkene; gas molecular entity | refrigerant; xenobiotic |
2-naphthalenesulfonic acid | [no description available] | low | 0 | 0 | naphthalenesulfonic acid | environmental contaminant; xenobiotic |
4-sulfanilic acid | [no description available] | low | 0 | 0 | aminobenzenesulfonic acid | allergen; environmental contaminant; xenobiotic metabolite; xenobiotic |
5-tolyltriazole | [no description available] | low | 0 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
monuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes | environmental contaminant; herbicide; xenobiotic |
ephedrine | [no description available] | low | 0 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
linuron | [no description available] | low | 0 | 0 | dichlorobenzene; phenylureas | agrochemical; environmental contaminant; herbicide; xenobiotic |
perfluorooctanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic |
perfluorodecanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant; xenobiotic |
perfluorobutyric acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | chromatographic reagent; environmental contaminant; xenobiotic |
triphenylmethane | [no description available] | low | 0 | 0 | triarylmethane | environmental contaminant; xenobiotic |
3-methylquinoline | [no description available] | low | 0 | 0 | methylquinoline | xenobiotic |
terbutryne | [no description available] | low | 0 | 0 | diamino-1,3,5-triazine; methylthio-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
metformin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | environmental contaminant; hypoglycemic agent; xenobiotic |
ioxynil | [no description available] | low | 0 | 0 | iodophenol; nitrile | environmental contaminant; herbicide; xenobiotic |
bromoxynil | [no description available] | low | 0 | 0 | dibromobenzene; hydroxynitrile; phenols | environmental contaminant; herbicide; xenobiotic |
pyrazon | [no description available] | low | 0 | 0 | benzenes; organochlorine compound; primary amino compound; pyridazinone | environmental contaminant; herbicide; xenobiotic |
methiocarb | [no description available] | low | 0 | 0 | aryl sulfide; carbamate ester; methyl sulfide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; molluscicide; xenobiotic |
lenacil | [no description available] | low | 0 | 0 | cyclopentapyrimidine | agrochemical; environmental contaminant; herbicide; xenobiotic |
fluometuron | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic |
1,2-benzisothiazoline-3-one | [no description available] | low | 0 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | disinfectant; drug allergen; environmental contaminant; platelet aggregation inhibitor; sensitiser; xenobiotic |
asulam | [no description available] | low | 0 | 0 | carbamate ester; primary amino compound; substituted aniline; sulfonamide | agrochemical; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; herbicide; xenobiotic |
chlorpyrifos-methyl | [no description available] | low | 0 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
terbutylazine | [no description available] | low | 0 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
1-indanol | [no description available] | low | 0 | 0 | aromatic alcohol; indanes; secondary alcohol | xenobiotic |
desmedipham | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; environmental contaminant; herbicide; xenobiotic |
phenmedipham | [no description available] | low | 0 | 0 | carbamate ester | environmental contaminant; herbicide; xenobiotic |
chlortoluron | [no description available] | low | 0 | 0 | monochlorobenzenes; phenylureas | agrochemical; environmental contaminant; herbicide; xenobiotic |
methoxuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes; monomethoxybenzene | agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; plant growth regulator; xenobiotic |
neohesperidin dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones; disaccharide derivative; neohesperidoside | environmental contaminant; plant metabolite; sweetening agent; xenobiotic |
metribuzin | [no description available] | low | 0 | 0 | 1,2,4-triazines; cyclic ketone; organic sulfide | agrochemical; environmental contaminant; herbicide; xenobiotic |
cyanazine | [no description available] | low | 0 | 0 | 1,3,5-triazinylamino nitrile; chloro-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
pirimicarb | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; tertiary amino compound | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
butachlor | [no description available] | low | 0 | 0 | aromatic amide; organochlorine compound; tertiary carboxamide | environmental contaminant; herbicide; xenobiotic |
propamocarb | [no description available] | low | 0 | 0 | carbamate ester; carbamate fungicide; tertiary amino compound | antifungal agrochemical; environmental contaminant; xenobiotic |
5-chloro-2-methyl-4-isothiazolin-3-one | [no description available] | low | 0 | 0 | 1,2-thiazoles; organochlorine compound | antimicrobial agent; environmental contaminant; xenobiotic |
2-n-octyl-4-isothiazolin-3-one | [no description available] | low | 0 | 0 | 1,2-thiazoles | antibacterial agent; antifungal agrochemical; environmental contaminant; xenobiotic |
amitraz | [no description available] | low | 0 | 0 | formamidines; tertiary amino compound | acaricide; environmental contaminant; insecticide; xenobiotic |
isoproturon | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical; environmental contaminant; herbicide; xenobiotic |
metamitron | [no description available] | low | 0 | 0 | 1,2,4-triazines | environmental contaminant; herbicide; xenobiotic |
bezafibrate | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
triclopyr | [no description available] | low | 0 | 0 | aromatic ether; chloropyridine; monocarboxylic acid | agrochemical; environmental contaminant; herbicide; xenobiotic |
propiconazole | [no description available] | low | 0 | 0 | conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
metazachlor | [no description available] | low | 0 | 0 | aromatic amide; organochlorine compound; pyrazoles | environmental contaminant; herbicide; xenobiotic |
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 |
fenoxycarb | [no description available] | low | 0 | 0 | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
metsulfuron methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines; benzoate ester; N-sulfonylurea | environmental contaminant; herbicide; xenobiotic |
clomazone | [no description available] | low | 0 | 0 | isoxazolidinone; monochlorobenzenes | agrochemical; carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
aromasil | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
prosulfocarb | [no description available] | low | 0 | 0 | benzenes; monothiocarbamic ester | environmental contaminant; herbicide; xenobiotic |
3-iodo-2-propynylbutylcarbamate | [no description available] | medium | 0 | 0 | acetylenic compound; carbamate ester; carbamate fungicide; organoiodine compound | antifungal agrochemical; environmental contaminant; xenobiotic |
oseltamivir | [no description available] | low | 0 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
perfluorohexanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant; xenobiotic |
perfluoro-n-heptanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant; xenobiotic |
perfluoro-n-nonanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | persistent organic pollutant; surfactant; xenobiotic |
acamprosate | [no description available] | low | 0 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
trichlorosucrose | [no description available] | low | 0 | 0 | disaccharide derivative; organochlorine compound | environmental contaminant; sweetening agent; xenobiotic |
nicosulfuron | [no description available] | low | 0 | 0 | N-sulfonylurea; pyridines; pyrimidines | environmental contaminant; herbicide; xenobiotic |
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 |
thifensulfuron methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines; methyl ester; N-sulfonylurea; thiophenes | agrochemical; environmental contaminant; herbicide; xenobiotic |
flusilazole | [no description available] | low | 0 | 0 | conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
perfluoropentanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant; xenobiotic |
1-benzylpiperazine | [no description available] | low | 0 | 0 | N-alkylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
perfluoroundecanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant; xenobiotic |
sulfluramid | [no description available] | low | 0 | 0 | sulfonamide | acaricide; environmental contaminant; insecticide; xenobiotic |
spiroxamine | [no description available] | low | 0 | 0 | dioxolane; spiroketal; tertiary amino compound | antifungal agrochemical; environmental contaminant; sterol biosynthesis inhibitor; xenobiotic |
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 |
dimethomorph | [no description available] | low | 0 | 0 | mixture; morpholine fungicide | antifungal agrochemical; environmental contaminant; xenobiotic |
cyprodinil | [no description available] | low | 0 | 0 | aminopyrimidine; anilinopyrimidine fungicide; cyclopropanes; secondary amino compound | antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic |
imidacloprid | [no description available] | low | 0 | 0 | imidacloprid; imidazolidines; monochloropyridine | environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
foe 5043 | [no description available] | low | 0 | 0 | aromatic amide; monofluorobenzenes; thiadiazoles | environmental contaminant; herbicide; xenobiotic |
irgarol 1051 | [no description available] | low | 0 | 0 | aryl sulfide; cyclopropanes; diamino-1,3,5-triazine | antifouling biocide; environmental contaminant; xenobiotic |
pyrimethanil | [no description available] | low | 0 | 0 | aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound | antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic |
kathon 930 | [no description available] | low | 0 | 0 | 1,2-thiazoles; organochlorine compound | environmental contaminant; fungicide; xenobiotic |
fluazinam | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound | allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic |
teflubenzuron | [no description available] | low | 0 | 0 | dichlorobenzene; difluorobenzene; N-acylurea | environmental contaminant; insecticide; xenobiotic |
diflufenican | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide | carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
sulcotrione | [no description available] | low | 0 | 0 | aromatic ketone; beta-triketone; cyclohexanones; sulfone | carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
tebufenozide | [no description available] | low | 0 | 0 | carbohydrazide | ecdysone agonist; environmental contaminant; xenobiotic |
dpx e9636 | [no description available] | low | 0 | 0 | aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone | environmental contaminant; herbicide; xenobiotic |
arsenocholine | [no description available] | low | 0 | 0 | arsonium ion; organoarsenic compound | human urinary metabolite; marine metabolite; xenobiotic |
methoxyfenozide | [no description available] | low | 0 | 0 | carbohydrazide; monomethoxybenzene | environmental contaminant; insecticide; xenobiotic |
thiamethoxam | [no description available] | low | 0 | 0 | 1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane | antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic |
thiacloprid | [no description available] | low | 0 | 0 | monochloropyridine; nitrile; thiazolidines | environmental contaminant; neonicotinoid insectide; xenobiotic |
aspartame | [no description available] | low | 0 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
2-ethyl-5-carboxypentyl phthalate | [no description available] | low | 0 | 0 | phthalic acid monoester | xenobiotic |
carpropamid | [no description available] | low | 0 | 0 | amide fungicide; cyclopropylcarboxamide; monochlorobenzenes | antifungal agrochemical; EC 4.2.1.94 (scytalone dehydratase) inhibitor; melanin synthesis inhibitor; xenobiotic |
mesotrione | [no description available] | low | 0 | 0 | aromatic ketone; beta-triketone; C-nitro compound; sulfone | carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic |
troleandomycin | [no description available] | low | 0 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
dronedarone | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
pinoxaden | [no description available] | low | 0 | 0 | pivalate ester; pyrazolooxadiazepine | agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; environmental contaminant; proherbicide; xenobiotic |
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide | [no description available] | low | 0 | 0 | anilide fungicide; biphenyls; monochlorobenzenes; pyridinecarboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; environmental contaminant; xenobiotic |
prizes | [no description available] | low | 0 | 0 | carboxamidine; monochloropyridine; nitrile | environmental contaminant; neonicotinoid insectide; xenobiotic |
lenticin | [no description available] | low | 0 | 0 | amino-acid betaine; indole alkaloid; L-tryptophan derivative | fungal metabolite; plant metabolite; xenobiotic |
cyanoginosin lr | [no description available] | low | 0 | 0 | microcystin | bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic |
dieldrin | [no description available] | low | 0 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
ranitidine | [no description available] | low | 0 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
azoxystrobin | [no description available] | low | 0 | 0 | aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic |
tylosin | [no description available] | low | 0 | 0 | aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative | allergen; bacterial metabolite; environmental contaminant; xenobiotic |
levetiracetam | [no description available] | low | 0 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
dextromethorphan | [no description available] | low | 0 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
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 |
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 |
microcystin rr | [no description available] | low | 0 | 0 | microcystin; organic molecular entity | bacterial metabolite; environmental contaminant; xenobiotic |
roxithromycin | [no description available] | low | 0 | 0 | roxithromycin | environmental contaminant; xenobiotic |
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 |
pymetrozine | [no description available] | low | 0 | 0 | 1,2,4-triazines; pyridines | antifeedant; environmental contaminant; TRPV channel modulator; xenobiotic |
neotame | [no description available] | low | 0 | 0 | dipeptide | environmental contaminant; sweetening agent; xenobiotic |
flonicamid | [no description available] | low | 0 | 0 | nitrile; organofluorine compound; pyridinecarboxamide | environmental contaminant; insecticide; xenobiotic |
microcystin-lf | [no description available] | low | 0 | 0 | microcystin | bacterial metabolite; environmental contaminant; xenobiotic |
decarbamylsaxitoxin | [no description available] | low | 0 | 0 | alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine | bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic |
mephedrone | [no description available] | low | 0 | 0 | amphetamines; aromatic ketone; secondary amino compound | environmental contaminant; xenobiotic |
clothianidin | [no description available] | low | 0 | 0 | 1,3-thiazoles; 2-nitroguanidine derivative; clothianidin; organochlorine compound | environmental contaminant; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
benzene | [no description available] | low | 0 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
formaldehyde | [no description available] | low | 0 | 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 |
naphthalene | [no description available] | low | 0 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
phenanthrene | [no description available] | low | 0 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
pyridine | [no description available] | low | 0 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
2,4,6-tribromophenol | [no description available] | low | 0 | 0 | bromophenol | environmental contaminant; fungicide; marine metabolite |
2,4-dichlorophenoxyacetic acid | [no description available] | low | 0 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
4-nonylphenol | [no description available] | low | 0 | 0 | phenols | environmental contaminant |
dibutyl phthalate | [no description available] | low | 0 | 0 | diester; phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent |
ethion | [no description available] | low | 0 | 0 | organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide |
methyl parathion | [no description available] | low | 0 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin |
bromodichloromethane | [no description available] | low | 0 | 0 | halomethane | environmental contaminant; reagent |
trichlorofluoromethane | [no description available] | low | 0 | 0 | chlorofluorocarbon; halomethane | environmental contaminant; NMR chemical shift reference compound; NMR solvent; refrigerant |
tris(2-butoxyethyl) phosphate | [no description available] | low | 0 | 0 | trialkyl phosphate | environmental contaminant; flame retardant |
cumene hydroperoxide | [no description available] | low | 0 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
1-nitronaphthalene | [no description available] | low | 0 | 0 | mononitronaphthalene | environmental contaminant; mouse metabolite |
2-nitrotoluene | [no description available] | low | 0 | 0 | mononitrotoluene | carcinogenic agent; environmental contaminant |
2-methyl-4-chlorophenoxyacetic acid | [no description available] | low | 0 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
benzotrifluoride | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; fluorohydrocarbon | environmental contaminant; NMR chemical shift reference compound; solvent |
n-nitrosopiperidine | [no description available] | low | 0 | 0 | nitrosamine; piperidine | apoptosis inducer; carcinogenic agent; environmental contaminant; mutagen |
cyclamic acid | [no description available] | low | 0 | 0 | sulfamic acids | environmental contaminant; human xenobiotic metabolite |
1,3-dichloropropane | [no description available] | low | 0 | 0 | chloroalkane; chlorohydrocarbon | environmental contaminant; nematicide |
malachite green | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent |
2,6-dimethylnaphthalene | [no description available] | low | 0 | 0 | dimethylnaphthalene | environmental contaminant |
brilliant green | [no description available] | low | 0 | 0 | organic hydrogensulfate salt | antibacterial agent; antiseptic drug; environmental contaminant; fluorochrome; histological dye; poison |
ametryne | [no description available] | low | 0 | 0 | diamino-1,3,5-triazine; methylthio-1,3,5-triazine | environmental contaminant; herbicide |
3-methylfuran | [no description available] | low | 0 | 0 | furans; volatile organic compound | Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite |
bpmc | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; herbicide; insecticide |
pirimiphos methyl | [no description available] | low | 0 | 0 | aminopyrimidine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide |
pendimethalin | [no description available] | low | 0 | 0 | C-nitro compound; secondary amino compound; substituted aniline | agrochemical; environmental contaminant; herbicide |
isoprothiolane | [no description available] | low | 0 | 0 | dithiolanes; isopropyl ester; malonate ester | antifungal agrochemical; environmental contaminant; insecticide; phospholipid biosynthesis inhibitor |
perfluorododecanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant |
t-2 toxin | [no description available] | low | 0 | 0 | acetate ester; organic heterotetracyclic compound; trichothecene | apoptosis inducer; cardiotoxic agent; DNA synthesis inhibitor; environmental contaminant; fungal metabolite; mycotoxin; neurotoxin |
4-iodo-2,5-dimethoxyphenylisopropylamine | [no description available] | low | 0 | 0 | amphetamines; dimethoxybenzene; organoiodine compound | |
5-iodo-2-(oxaloamino)benzoic acid | [no description available] | low | 0 | 0 | organoiodine compound | |
am 251 | [no description available] | low | 0 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
clioquinol | [no description available] | low | 0 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
iodoquinol | [no description available] | low | 0 | 0 | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
ml 7 | [no description available] | low | 0 | 0 | N-sulfonyldiazepane; organoiodine compound | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
iodoacetic acid | [no description available] | low | 0 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
idoxuridine | [no description available] | low | 0 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
2,3,5-triiodobenzoic acid | [no description available] | low | 0 | 0 | benzoic acids; organoiodine compound | antiauxins |
iodohippuric acid | [no description available] | low | 0 | 0 | benzamides; N-acylglycine; organoiodine compound | |
nitrohydroxyiodophenylacetate | [no description available] | low | 0 | 0 | 2-nitrophenols; organoiodine compound; phenylacetic acids | antigen |
closantel | [no description available] | low | 0 | 0 | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
2-iodosobenzoic acid | [no description available] | low | 0 | 0 | benzoic acids; organoiodine compound | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor |
5-iodouracil | [no description available] | low | 0 | 0 | organoiodine compound | antimetabolite |
4-iodopyrazole | [no description available] | low | 0 | 0 | organoiodine compound; pyrazoles | |
5-iodotubercidin | [no description available] | low | 0 | 0 | organoiodine compound | |
4'-deoxy-4'-iododoxorubicin | [no description available] | low | 0 | 0 | organoiodine compound; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | low | 0 | 0 | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
3,5-diiodothyropropionic acid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; organoiodine compound; phenols | |
3-(2-iodoacetamido)-2,2,5,5-tetramethyl-1-pyrrolidinyloxyl | [no description available] | low | 0 | 0 | aminoxyls; organoiodine compound; pyrrolidinecarboxamide | |
4-iodo-6-phenylpyrimidine | [no description available] | low | 0 | 0 | biaryl; organoiodine compound; pyrimidines | antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor |
n-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide | [no description available] | low | 0 | 0 | aminoxyls; organoiodine compound; piperidinecarboxamide; secondary carboxamide | radical scavenger; spin label |
triptorelin | [no description available] | low | 0 | 0 | organoiodine compound | |
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin | [no description available] | low | 0 | 0 | organoiodine compound; phenols; tertiary amino compound; tetralins | dopamine agonist |
pd 0325901 | [no description available] | low | 0 | 0 | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
pd 150606 | [no description available] | low | 0 | 0 | cinnamic acids; organoiodine compound; thioenol | apoptosis inhibitor; calpain inhibitor |
am 694 | [no description available] | low | 0 | 0 | aromatic ketone; indoles; organofluorine compound; organoiodine compound; synthetic cannabinoid | cannabinoid receptor agonist |
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine | [no description available] | low | 0 | 0 | adenosines; monocarboxylic acid amide; organoiodine compound | |
trametinib | [no description available] | low | 0 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
gdc-0973 | [no description available] | low | 0 | 0 | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
GDC-0623 | [no description available] | low | 0 | 0 | hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
calicheamicin gamma(1)i | [no description available] | low | 0 | 0 | calicheamicin; enediyne antibiotic; organoiodine compound | antineoplastic agent; metabolite |
malonamide | [no description available] | low | 0 | 0 | dicarboxylic acid diamide | |
oxamide | [no description available] | low | 0 | 0 | dicarboxylic acid diamide | |
lopinavir | [no description available] | low | 0 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
bml 210 | [no description available] | low | 0 | 0 | dicarboxylic acid diamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
scio-469 | [no description available] | low | 0 | 0 | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide | [no description available] | low | 0 | 0 | benzamides; biphenyls; cyclopropanes; dicarboxylic acid diamide | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
cabozantinib | [no description available] | low | 0 | 0 | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
hordatine a | [no description available] | low | 0 | 0 | aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols | adrenergic antagonist; metabolite |
ro 4929097 | [no description available] | low | 0 | 0 | dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound | EC 3.4.23.46 (memapsin 2) inhibitor |