Drug Information

Drug General Information
Drug ID
D05IXU
Former ID
DNC008929
Drug Name
3-(3-Benzylnaphthalen-2-yl)pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529667]
Structure
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2D MOL

3D MOL
Formula
C22H17N
Canonical SMILES
C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=C2C4=CN=CC=C4
InChI
1S/C22H17N/c1-2-7-17(8-3-1)13-21-14-18-9-4-5-10-19(18)15-22(21)20-11-6-12-23-16-20/h1-12,14-16H,13H2
InChIKey
RPMMFOVAHREENB-UHFFFAOYSA-N
PubChem Compound ID
25130517
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529667]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
PathWhiz Pathway Steroidogenesis
Reactome Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Corticotropin-releasing hormone
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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