Drug General Information
Drug ID
D0M0IQ
Former ID
DNC004860
Drug Name
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527367]
Structure
Download
2D MOL

3D MOL

Formula
C20H17N3S2
Canonical SMILES
C1=CC(=CN=C1)C2=CC=C(S2)CNCC3=CC=C(S3)C4=CN=CC=C4
InChI
1S/C20H17N3S2/c1-3-15(11-21-9-1)19-7-5-17(24-19)13-23-14-18-6-8-20(25-18)16-4-2-10-22-12-16/h1-12,23H,13-14H2
InChIKey
CKCZUAVVHJHNJY-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 2D6 Target Info Inhibitor [527367]
KEGG Pathway Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Serotonergic synapse
Reactome Xenobiotics
WikiPathways Metapathway biotransformation
Tamoxifen metabolism
Oxidation by Cytochrome P450
Vitamin D Receptor Pathway
Aripiprazole Metabolic Pathway
Fatty Acid Omega Oxidation
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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