Drug Information

Drug General Information
Drug ID
D0C7JC
Former ID
DNC004858
Drug Name
5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527367]
Formula
C10H8N2OS
Canonical SMILES
C1=CC(=CN=C1)C2=CC=C(S2)C=NO
InChI
1S/C10H8N2OS/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-7,13H/b12-7+
InChIKey
HRTKQHILWNVFIX-KPKJPENVSA-N
PubChem Compound ID
11264173
Target and Pathway
Target(s) Cytochrome P450 3A4 Target Info Inhibitor [527367]
KEGG Pathway Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Drug metabolism - other enzymes
Metabolic pathways
Bile secretion
Chemical carcinogenesis
PathWhiz Pathway Caffeine Metabolism
Retinol Metabolism
Reactome Xenobiotics
Aflatoxin activation and detoxification
WikiPathways Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Vitamin D Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine Metabolism
References
Ref 527367J Med Chem. 2005 Jan 13;48(1):224-39.5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.
Ref 527367J Med Chem. 2005 Jan 13;48(1):224-39.5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.

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