Drug Information

Drug General Information
Drug ID
D06JYY
Former ID
DNC008927
Drug Name
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529667]
Formula
C23H19NO
Canonical SMILES
COC1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=C2C4=CN=CC=C4
InChI
1S/C23H19NO/c1-25-22-10-8-17(9-11-22)13-21-14-18-5-2-3-6-19(18)15-23(21)20-7-4-12-24-16-20/h2-12,14-16H,13H2,1H3
InChIKey
GOGQHVZGANJJDF-UHFFFAOYSA-N
PubChem Compound ID
25130848
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529667]
Cytochrome P450 3A4 Target Info Inhibitor [529667]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathwayshsa00140: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 carcinogenesis
PathWhiz Pathway SteroidogenesisPW000015:Caffeine Metabolism
Retinol Metabolism
Reactome Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-211981:Xenobiotics
Aflatoxin activation and detoxification
WikiPathways Metapathway biotransformation
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Corticotropin-releasing hormoneWP702:Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
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 Metabolism
References
Ref 529667J Med Chem. 2008 Oct 9;51(19):6138-49. Epub 2008 Sep 3.Novel aldosterone synthase inhibitors with extended carbocyclic skeleton by a combined ligand-based and structure-based drug design approach.
Ref 529667J Med Chem. 2008 Oct 9;51(19):6138-49. Epub 2008 Sep 3.Novel aldosterone synthase inhibitors with extended carbocyclic skeleton by a combined ligand-based and structure-based drug design approach.

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