Page last updated: 2024-08-02 09:27:53
zd 9379
Description
ZD 9379: structure given in first source [MeSH]
Cross-References
ID Source | ID |
PubMed CID | 9843028 |
CHEMBL ID | 4099756 |
SCHEMBL ID | 6021744 |
MeSH ID | M0277230 |
Synonyms (17)
Synonym |
7-chloro-4-hydroxy-2-(4-methoxy-2-methylphenyl)-1,2,5,10-tetrahydropyridazino-[4,5-b]quinoline-1,10-dione |
PSTDMIAVUUYOOQ-UHFFFAOYSA-N , |
7-chloro-4-hydroxy-2-(4-methoxy-2-methylphenyl)-1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-dione |
SCHEMBL6021744 |
zd 9379 |
170142-20-8 |
7-chloro-2,3-dihydro-2-(4-methoxy-2-methylphenyl)pyridazino [4,5-b] quinoline-1,4,10(5h)trione |
7-chloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydropyridazino[4,5-b]quinoline-1,4,10(5h)-trione |
zd-9379 |
AKOS024457551 |
NCGC00386738-02 |
CHEMBL4099756 |
7-chloro-2-(4-methoxy-2-methylphenyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione |
VGA14220 |
HY-106968 |
CS-0027023 |
E99027 |
Protein Targets (2)
Potency Measurements
Inhibition Measurements
Bioassays (6)
Assay ID | Title | Year | Journal | Article |
AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 ISSN: 2472-5560 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID1449628 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method | 2012 | Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12 ISSN: 1521-009X | Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification. |
Research
Studies (8)
Timeframe | Studies, This Drug (%) | All Drugs % |
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 3 (37.50) | 18.2507 |
2000's | 1 (12.50) | 29.6817 |
2010's | 2 (25.00) | 24.3611 |
2020's | 2 (25.00) | 2.80 |
Study Types
Publication Type | This drug (%) | All Drugs (%) |
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 9 (100.00%) | 84.16% |
Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
adenine | | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
quinacrine | | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
betaine | | amino-acid betaine; glycine derivative | fundamental metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carnitine | | amino-acid betaine | human metabolite; mouse metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
coumarin | | coumarins | fluorescent dye; human metabolite; plant metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bupropion | | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
guaiacol | | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
histamine | | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
acetanilide | | acetamides; anilide | analgesic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pyridoxine | | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
enprofylline | | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
oxyquinoline | | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tacrine | | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
acetaminophen | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
acetarsol | | acetamides; anilide | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ethacridine | | acridines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
4-(acetylamino)benzeneacetic acid | | acetamides; anilide | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
adiphenine | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
aklomide | | carbonyl compound; organohalogen compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
albuterol | | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
altretamine | | triamino-1,3,5-triazine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
aminoglutethimide | | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
p-aminohippuric acid | | N-acylglycine | Daphnia magna metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amiodarone | | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amlodipine | | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amodiaquine | | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amoxapine | | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amprolium | | pyridinium ion | coccidiostat | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
antazoline | | aromatic amine; imidazolines; tertiary amino compound | cholinergic antagonist; H1-receptor antagonist; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
antipyrine | | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | | aporphine alkaloid | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
arecoline | | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
astemizole | | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
azathioprine | | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bendroflumethiazide | | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benserazide | | carbohydrazide; catechols; primary alcohol; primary amino compound | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benzocaine | | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benzothiazide | | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bepridil | | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
betaxolol | | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bethanechol | | carbamate ester; quaternary ammonium ion | muscarinic agonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bisacodyl | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bretylium | | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bromhexine | | organobromine compound; substituted aniline; tertiary amino compound | mucolytic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
seratrodast | | organic molecular entity | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bumetanide | | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
buspirone | | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
busulfan | | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
butacaine | | benzoate ester | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
butamben | | amino acid ester; benzoate ester; primary amino compound; substituted aniline | local anaesthetic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
caffeine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
verapamil | | aromatic ether; nitrile; polyether; tertiary amino compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carbamylcholine | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carbamazepine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carbinoxamine | | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carmustine | | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carteolol | | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chloroxylenol | | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chlorpromazine | | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chlorpropamide | | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cimetidine | | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
aricine | | cinchona alkaloid | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ciprofloxacin | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
clomiphene | | tertiary amine | estrogen antagonist; estrogen receptor modulator | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
clomipramine | | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
clotrimazole | | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cloxyquin | | organochlorine compound; quinolines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cromolyn | | chromones; dicarboxylic acid | anti-asthmatic drug; calcium channel blocker | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cyclandelate | | carboxylic ester; secondary alcohol | vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cyclobenzaprine | | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dapsone | | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
debrisoquin | | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
desipramine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
diazoxide | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dibenzothiophene | | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dibucaine | | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
diclofenac | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dichlorphenamide | | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dicyclomine | | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dilacor xr | | acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dimethadione | | oxazolidinone | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
diphenylpyraline | | piperidines; tertiary amine | cholinergic antagonist; H1-receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
disulfiram | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
valproic acid | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
donepezil | | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
doxylamine | | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
droperidol | | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dyclonine | | aromatic ketone; piperidines | topical anaesthetic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dyphylline | | oxopurine; propane-1,2-diols | bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ebselen | | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
econazole | | dichlorobenzene; ether; imidazoles; monochlorobenzenes | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
profenamine | | phenothiazines; tertiary amino compound | adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ethosuximide | | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ethotoin | | imidazolidine-2,4-dione | anticonvulsant | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
etidronate | | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
felbamate | | carbamate ester | anticonvulsant; neuroprotective agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fenoldopam | | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
berotek | | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
flecainide | | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fluphenazine | | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
flumazenil | | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fluorouracil | | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fluoxetine | | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
flurbiprofen | | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
flutamide | | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
furosemide | | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gabapentin | | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
glafenine | | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gliclazide | | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
glimepiride | | sulfonamide | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
glyburide | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
guaifenesin | | methoxybenzenes | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
guanethidine | | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
haloperidol | | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hexoprenaline | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hexamethylene bisacetamide | | acetamides | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hycanthone | | thioxanthenes | mutagen; schistosomicide drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hydralazine | | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hydroflumethiazide | | benzothiadiazine; thiazide | antihypertensive agent; diuretic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hydroxyzine | | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ibuprofen | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
phenelzine | | primary amine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amrinone | | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
indapamide | | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
indomethacin | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
iodoquinol | | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
iproniazid | | carbohydrazide; pyridines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
isoetharine | | catecholamine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
isoniazid | | carbohydrazide | antitubercular agent; drug allergen | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
isoproterenol | | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
isoxsuprine | | alkylbenzene | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ketoconazole | | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ketotifen | | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
labetalol | | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
leflunomide | | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
letrozole | | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
losartan | | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ly 171883 | | acetophenones; aromatic ether; phenols; tetrazoles | anti-asthmatic drug; leukotriene antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
meclofenamic acid | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
memantine | | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mephenesin | | aromatic ether; glycerol ether | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mephenytoin | | imidazolidine-2,4-dione | anticonvulsant | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benzoic acid [2-methyl-2-(propylamino)propyl] ester | | benzoate ester | | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
mesalamine | | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
metaproterenol | | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
metformin | | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methapyrilene | | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methocarbamol | | aromatic ether; carbamate ester; secondary alcohol | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
metyrapone | | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mianserin | | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
miconazole | | dichlorobenzene; ether; imidazoles | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
minoxidil | | dialkylarylamine; tertiary amino compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mitotane | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
acecainide | | acetamides; benzamides | anti-arrhythmia drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nadolol | | tetralins | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nafronyl | | naphthalenes | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
naftopidil | | piperazines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
naphazoline | | naphthalenes | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nefazodone | | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
neostigmine | | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nevirapine | | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nicardipine | | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nifedipine | | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nilvadipine | | dihydropyridine; isopropyl ester; methyl ester; nitrile | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nitromide | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nomifensine | | isoquinolines | dopamine uptake inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one | | isoquinolines | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
nylidrin | | alkylbenzene | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ofloxacin | | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
orphenadrine | | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
oxethazaine | | amino acid amide | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
oxibendazole | | benzimidazoles; carbamate ester | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
oxprenolol | | aromatic ether | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benoxinate | | amino acid ester; benzoate ester; substituted aniline; tertiary amino compound | drug allergen; local anaesthetic; topical anaesthetic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
papaverine | | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pargyline | | aromatic amine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pentamidine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
perhexiline | | piperidines | cardiovascular drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
perphenazine | | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
phenacemide | | acetamides | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | | pyrroloindole | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
pinacidil | | pyridines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pioglitazone | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
piracetam | | organonitrogen compound; organooxygen compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pirenzepine | | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
piretanide | | aromatic ether | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
practolol | | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
duodote | | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
praziquantel | | isoquinolines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
prazosin | | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
primaquine | | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
proadifen | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
probenecid | | benzoic acids; sulfonamide | uricosuric drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
probucol | | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
procaine | | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
prochlorperazine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
propafenone | | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
propranolol | | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
protriptyline | | carbotricyclic compound | antidepressant | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pyrilamine | | aromatic ether; ethylenediamine derivative | H1-receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pyrimethamine | | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
riluzole | | benzothiazoles | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
risperidone | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
rofecoxib | | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
roxarsone | | 2-nitrophenols; organoarsonic acid | agrochemical; animal growth promotant; antibacterial drug; coccidiostat | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
salicylamide | | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
salicylsalicylic acid | | benzoate ester; benzoic acids; phenols; salicylates | antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfadiazine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
spiperone | | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
imatinib | | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
succinylsulfathiazole | | 1,3-thiazoles | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfacetamide | | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfadimethoxine | | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfamerazine | | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfamethazine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfamethizole | | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfamethoxazole | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfisoxazole | | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulpiride | | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
telenzepine | | benzodiazepine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
terfenadine | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tetracaine | | benzoate ester; tertiary amino compound | local anaesthetic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tetrahydroxy-1,4-quinone | | hydroxybenzoquinone | keratolytic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
thalidomide | | phthalimides; piperidones | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
thiabendazole | | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
2-thiosalicylic acid | | sulfanylbenzoic acid | antipyretic; non-narcotic analgesic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
thioridazine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
thiotepa | | aziridines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ticlopidine | | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tolazamide | | N-sulfonylurea | hypoglycemic agent; potassium channel blocker | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tolazoline | | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tolbutamide | | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tolnaftate | | monothiocarbamic ester | antifungal drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trapidil | | triazolopyrimidines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trifluoperazine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trifluperidol | | aromatic ketone | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
triflupromazine | | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trimebutine | | trihydroxybenzoic acid | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trimeprazine | | phenothiazines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trimethoprim | | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trioxsalen | | psoralens | dermatologic drug; photosensitizing agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
troglitazone | | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tropicamide | | acetamides | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tulobuterol | | organochlorine compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
urapidil | | piperazines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
urethane | | carbamate ester | fungal metabolite; mutagen | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
venlafaxine | | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
xylazine | | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
xylometazoline | | alkylbenzene | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
prednisolone | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
estriol | | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
reserpine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
phentolamine | | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
piperonyl butoxide | | benzodioxoles | pesticide synergist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
estrone | | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
penicillin g | | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
metaraminol | | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pentylenetetrazole | | organic heterobicyclic compound; organonitrogen heterocyclic compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chloramphenicol | | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ethinyl estradiol | | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
apomorphine | | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ethopabate | | amidobenzoic acid | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cysteamine | | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
acepromazine | | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methoxamine | | amphetamines | alpha-adrenergic agonist; antihypotensive agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cloxacillin | | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
zoxazolamine | | benzoxazole | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
berlition | | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
desoxycorticosterone | | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
colchicine | | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
norethindrone | | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cycloserine | | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trifluridine | | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mepenzolate bromide | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pantothenic acid | | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfachlorpyridazine | | organochlorine compound; pyridazines; sulfonamide | antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methylprednisolone | | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
phensuximide | | pyrrolidines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dimethisoquin | | isoquinolines | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
synephrine | | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pyridostigmine bromide | | pyridinium salt | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benzonatate | | benzoate ester; secondary amino compound; substituted aniline | anaesthetic; antitussive | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
phenformin | | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cinchophen | | quinolines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chloroprocaine | | benzoate ester; monochlorobenzenes | central nervous system depressant; local anaesthetic; peripheral nervous system drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
yohimbine | | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ditiocarb | | dithiocarbamic acids | chelator; copper chelator | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
propantheline bromide | | xanthenes | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fluorometholone | | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dihydralazine | | phthalazines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dimenhydrinate | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
4-(benzoylamino)-2-hydroxybenzoic acid | | benzamides | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
megestrol acetate | | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trimetozine | | morpholines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
docosanol | | docosanol; long-chain primary fatty alcohol | antiviral drug; plant metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tetramethylpyrazine | | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
flurandrenolone | | 21-hydroxy steroid | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amiloride | | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pimozide | | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
flumethasone | | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfadoxine | | pyrimidines; sulfonamide | antibacterial drug; antimalarial | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dicloxacillin | | dichlorobenzene; penicillin | antibacterial drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tranylcypromine | | 2-phenylcyclopropan-1-amine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
beclomethasone | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
floxacillin | | penicillin allergen; penicillin | antibacterial drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
(1S,2R)-tranylcypromine | | 2-phenylcyclopropan-1-amine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
parbendazole | | benzimidazoles; carbamate ester | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
levamisole | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
danazol | | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
metergoline | | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fenclozic acid | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
capobenic acid | | benzamides | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
diftalone | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carbimazole | | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ursodeoxycholic acid | | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
rose bengal b disodium salt | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amoxicillin | | penicillin allergen; penicillin | antibacterial drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
indoramin | | tryptamines | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carbidopa | | catechols; hydrazines; monocarboxylic acid | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dobutamine | | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methyldopa | | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bezafibrate | | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benoxaprofen | | 1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes | antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
torsemide | | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
piperacillin | | penicillin allergen; penicillin | antibacterial drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
indalpine | | indoles | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lidamidine | | ureas | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
talniflumate | | benzofurans | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nedocromil | | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dazoxiben | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tolrestat | | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
simvastatin | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
remoxipride | | dimethoxybenzene | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
quinapril | | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
alpidem | | imidazoles | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dopexamine | | catecholamine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lonapalene | | naphthalenes; organochlorine compound | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ipsapirone | | N-arylpiperazine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sematilide | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
zileuton | | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
remacemide | | stilbenoid | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
valsartan | | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
paroxetine hydrochloride | | hydrochloride | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
verapamil hydrochloride | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fenclofenac | | aromatic ether | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
proxicromil | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
torbafylline | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sertraline | | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
enrofloxacin | | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
uk 68798 | | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mepindolol | | indoles | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fpl 52791 | | | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
epanolol | | acetamides | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methotrimeprazine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
rosiglitazone | | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nicotine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
levcromakalim | | 1-benzopyran | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hexylcaine hydrochloride | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
imipenem, anhydrous | | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sr141716 | | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bosentan anhydrous | | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fpl 55712 | | aromatic ketone | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sivelestat | | N-acylglycine; pivalate ester | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fpl-52694 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ramatroban | | organic molecular entity | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methotrexate | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
xaliproden | | (trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine | serotonergic agonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
n-isobutyrylcysteine | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dexpanthenol | | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
quilostigmine | | pyrroloindole | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
imiloxan | | benzodioxine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
aspartame | | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tempol | | aminoxyls; hydroxypiperidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
levofloxacin | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
vatalanib | | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
moxifloxacin | | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
clevidipine | | dihydropyridine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hyoscyamine | | tropane alkaloid | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
naproxen | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lactitol | | glycosyl alditol | cathartic; excipient; laxative | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fpl 52757 | | | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
paromomycin | | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fpl 59257 | | | | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
atropine | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ropivacaine | | piperidinecarboxamide; ropivacaine | local anaesthetic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
erlotinib | | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
zeneca zd 6169 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sibenadet | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
latrepirdine | | methylpyridines; pyridoindole | geroprotector | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ramelteon | | indanes | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lapatinib | | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sorafenib | | (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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cortisone | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
phenethicillin | | penicillin allergen; penicillin | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ouabain | | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
salicin | | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
digitoxin | | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
linezolid | | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
(S)-bicalutamide | | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
devazepide | | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
halcinonide | | organic molecular entity | SMO receptor agonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
metrizamide | | amino sugar | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tretinoin | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
melphalan | | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chlorprothixene | | chlorprothixene | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
etomidate | | ethyl ester; imidazoles | intravenous anaesthetic; sedative | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methylthiouracil | | pyrimidone | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
crotamiton | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
flunarizine | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
thiothixene | | N-methylpiperazine | anticoronaviral agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benztropine | | diarylmethane | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methimazole | | 1,3-dihydroimidazole-2-thiones | antithyroid drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulindac | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
capsaicin | | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
digoxin | | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tamoxifen | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ethionamide | | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
scopolamine | | 3-hydroxy carboxylic acid | | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
ranitidine | | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
almokalant | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
quinine | | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
vx-745 | | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
deracoxib | | organofluorine compound; pyrazoles; sulfonamide | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dasatinib | | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
2-aminohippuric acid | | N-acylglycine | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
rs-130830 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sitagliptin | | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tolcapone | | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dinoprostone | | prostaglandins E | human metabolite; mouse metabolite; oxytocic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
vitamin k semiquinone radical | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
beta carotene | | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pheniramine maleate | | organic molecular entity | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
triprolidine | | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
homatropine | | tropane alkaloid | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
cyclosporine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
levetiracetam | | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
naloxone | | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sirolimus | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
topiramate | | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ar c67085mx | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
desoximetasone | | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb 223412 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
su 11248 | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
naltrexone | | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cefixime | | cephalosporin | antibacterial drug; drug allergen | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
zimeldine | | styrenes | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
enalaprilat anhydrous | | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tiotropium | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
guanabenz | | dichlorobenzene | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nw 1029 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ici d1542 | | | | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
gavestinel | | | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
1-methyl-d-lysergic acid butanolamide | | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nitrofurantoin | | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dantrolene | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tipredane | | 3-hydroxy steroid | androgen | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bentiromide | | dipeptide | diagnostic agent; indicator; reagent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gemifloxacin | | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
utibapril | | | | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
ly 450139 | | peptide | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cangrelor | | adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound | P2Y12 receptor antagonist; platelet aggregation inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sch 527123 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
linaprazan | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lecozotan | | | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
ar c155858 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | | methoxybenzenes; substituted aniline | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
scopolamine hydrobromide | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
azd 7545 | | benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
clavulanate potassium | | potassium salt | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
cytomel | | organic sodium salt | | 2012 | 2012 | 12.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
a 967079 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pht 427 | | | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dicumarol | | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
warfarin | | benzenes; hydroxycoumarin; methyl ketone | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
acyclovir | | 2-aminopurines; oxopurine | antimetabolite; antiviral drug | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
folic acid | | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
clozapine | | 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 | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dacarbazine | | dacarbazine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sildenafil | | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
olanzapine | | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
leucovorin | | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carbadox | | quinoxaline derivative | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fenobam | | ureas | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ZD 9379.Drugs in R&D, , Volume: 1, Issue:1, 1999
Glycine site antagonist attenuates infarct size in experimental focal ischemia. Postmortem and diffusion mapping studies.Stroke, , Volume: 28, Issue:6, 1997
Progression of a focal ischemic lesion in rat brain during treatment with a novel glycine/NMDA antagonist: an in vivo three-dimensional diffusion-weighted MR microscopy study.Journal of magnetic resonance imaging : JMRI, , Volume: 7, Issue:4
ZD 9379.Drugs in R&D, , Volume: 1, Issue:1, 1999
ZD 9379.Drugs in R&D, , Volume: 1, Issue:1, 1999
ZD 9379.Drugs in R&D, , Volume: 1, Issue:1, 1999
Glycine site antagonist attenuates infarct size in experimental focal ischemia. Postmortem and diffusion mapping studies.Stroke, , Volume: 28, Issue:6, 1997
Progression of a focal ischemic lesion in rat brain during treatment with a novel glycine/NMDA antagonist: an in vivo three-dimensional diffusion-weighted MR microscopy study.Journal of magnetic resonance imaging : JMRI, , Volume: 7, Issue:4
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