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]
Structure		Download 2D MOL 3D MOL
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 528540	J 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 528540	J 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.

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