Drug Information

Drug General Information
Drug ID
D0YP4A
Former ID
DNC006937
Drug Name
(5-pyridin-3-yl-furan-2-yl)methanethiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528540]
Formula
C10H9NOS
Canonical SMILES
C1=CC(=CN=C1)C2=CC=C(O2)CS
InChI
1S/C10H9NOS/c13-7-9-3-4-10(12-9)8-2-1-5-11-6-8/h1-6,13H,7H2
InChIKey
GLMNDKCXHHOKIQ-UHFFFAOYSA-N
PubChem Compound ID
11993866
Target and Pathway
Target(s) Cytochrome P450 3A4 Target Info Inhibitor [528540]
Cytochrome P450 2D6 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 carcinogenesishsa00980:Metabolism of xenobiotics by cytochrome P450
Serotonergic synapse
PathWhiz Pathway Caffeine Metabolism
Retinol Metabolism
Reactome Xenobiotics
Aflatoxin activation and detoxificationR-HSA-211981:Xenobiotics
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 MetabolismWP702:Metapathway biotransformation
Aripiprazole Metabolic Pathway
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.