Drug General Information
Drug ID
D0N1GH
Former ID
DNC005719
Drug Name
6-(pyridin-3-yl)-2-naphthonitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529834]
Structure
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2D MOL

3D MOL

Formula
C16H10N2
Canonical SMILES
C1=CC(=CN=C1)C2=CC3=C(C=C2)C=C(C=C3)C#N
InChI
1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
InChIKey
BRNSTMOAGOETDI-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529624]
17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [529834]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathwayshsa00140:Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
Prolactin signaling pathway
PathWhiz Pathway SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Steroidogenesis
Reactome Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-193048:Androgen biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
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 529624J Med Chem. 2008 Aug 28;51(16):5064-74. Epub 2008 Aug 1.Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization onpotency and selectivity.
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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