Drug Information

Drug General Information
Drug ID
D04ISG
Former ID
DNC005723
Drug Name
3-(1-Chloro-7-methoxy-naphthalen-2-yl)-pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527801]
Structure
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2D MOL

3D MOL
Formula
C16H12ClNO
Canonical SMILES
COC1=CC2=C(C=C1)C=CC(=C2Cl)C3=CN=CC=C3
InChI
1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
InChIKey
KRLGQBXIHBDUPS-UHFFFAOYSA-N
PubChem Compound ID
11680597
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [527801]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [527801]
BioCyc Pathway 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 steroidogenesis
Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
SteroidogenesisPW000141:Steroidogenesis
Reactome Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-194002:Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Steroid Biosynthesis
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compoundsWP702:Metapathway biotransformation
Corticotropin-releasing hormone
References
Ref 527801J Med Chem. 2005 Oct 20;48(21):6632-42.Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis.
Ref 527801J Med Chem. 2005 Oct 20;48(21):6632-42.Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis.

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