Drug Information

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]
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 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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