Drug General Information
Drug ID	D01ARE
Former ID	DNC004832
Drug Name	Methyl-(5-pyridin-3-yl-thiophen-2-yl)-amine
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527367]
Structure		Download 2D MOL 3D MOL
Formula	C10H10N2S
Canonical SMILES	CNC1=CC=C(S1)C2=CN=CC=C2
InChI	1S/C10H10N2S/c1-11-10-5-4-9(13-10)8-3-2-6-12-7-8/h2-7,11H,1H3
InChIKey	OUEHWWLIEPNPDR-UHFFFAOYSA-N
PubChem Compound ID	44388719
Target and Pathway
Target(s)	Cytochrome P450 2D6	Target Info	Inhibitor	[527367]
	Cytochrome P450 3A4	Target Info	Inhibitor	[527367]
KEGG Pathway	Metabolism of xenobiotics by cytochrome P450
	Drug metabolism - cytochrome P450
	Serotonergic synapsehsa00140:Steroid hormone biosynthesis
	Linoleic acid metabolism
	Retinol metabolism
	Drug metabolism - other enzymes
	Metabolic pathways
	Bile secretion
	Chemical carcinogenesis
PathWhiz Pathway	Caffeine Metabolism
	Retinol Metabolism
Reactome	XenobioticsR-HSA-211981:Xenobiotics
	Aflatoxin activation and detoxification
WikiPathways	Metapathway biotransformation
	Tamoxifen metabolism
	Oxidation by Cytochrome P450
	Vitamin D Receptor Pathway
	Aripiprazole Metabolic Pathway
	Fatty Acid Omega Oxidation
	Codeine and Morphine MetabolismWP702:Metapathway biotransformation
	Aflatoxin B1 metabolism
	Estrogen metabolism
	Benzo(a)pyrene metabolism
	Tryptophan metabolism
	Nuclear Receptors in Lipid Metabolism and Toxicity
	Nuclear Receptors Meta-Pathway
	Farnesoid X Receptor Pathway
	Felbamate Metabolism
	Lidocaine metabolism
	Nifedipine Activity
	Colchicine Metabolic Pathway
	Irinotecan Pathway
	Drug Induction of Bile Acid Pathway
	Codeine and Morphine Metabolism
References
Ref 527367	J 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 527367	J 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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.