Drug Information

Drug General Information
Drug ID
D06TRS
Former ID
DNC004856
Drug Name
3-(3-methylthiophen-2-yl)pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528540]
Formula
C10H9NS
Canonical SMILES
CC1=C(SC=C1)C2=CN=CC=C2
InChI
1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3
InChIKey
JIOQSJVEVFADJG-UHFFFAOYSA-N
PubChem Compound ID
23646069
Target and Pathway
Target(s) Cytochrome P450 3A4 Target Info Inhibitor [528540]
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 528540J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Ref 528540J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.