Drug Information

Drug General Information
Drug ID
D0N1PQ
Former ID
DNC005715
Drug Name
3-(6-methoxynaphthalen-2-yl)pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529834]
Structure
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2D MOL

3D MOL
Formula
C16H13NO
Canonical SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=CN=CC=C3
InChI
1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
InChIKey
DCVWYSMRLGKIJB-UHFFFAOYSA-N
PubChem Compound ID
11506923
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [529834]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529667]
17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [529834]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Metabolic pathwayshsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
Prolactin signaling pathway
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000141:SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Steroidogenesis
Reactome Endogenous sterolsR-HSA-194002:Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-193048:Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compoundsWP702:Metapathway biotransformation
Corticotropin-releasing hormoneWP702:Metapathway biotransformation
Steroid Biosynthesis
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compounds
References
Ref 529834J Med Chem. 2008 Dec 25;51(24):8077-87.In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives.
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 529834J Med Chem. 2008 Dec 25;51(24):8077-87.In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives.

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