Drug Information

Drug General Information
Drug ID
D0K5KG
Former ID
DNC006349
Drug Name
3-(1-methyl-3,4-dihydronaphthalen-2-yl)-pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528109]
Structure
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2D MOL

3D MOL
Formula
C16H15N
Canonical SMILES
CC1=C(CCC2=CC=CC=C12)C3=CN=CC=C3
InChI
1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
InChIKey
WBEMJRFRGOAAJI-UHFFFAOYSA-N
PubChem Compound ID
6540050
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [528109]
17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [528109]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [528109]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Mineralocorticoid biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000045:Androgen and Estrogen Metabolism
SteroidogenesisPW000141:Steroidogenesis
Reactome Endogenous sterolsR-HSA-193048:Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-194002: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
Steroid Biosynthesis
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Corticotropin-releasing hormone
References
Ref 528109J Med Chem. 2006 Apr 6;49(7):2222-31.Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis.
Ref 528109J Med Chem. 2006 Apr 6;49(7):2222-31.Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis.

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