Drug Information

Drug General Information
Drug ID
D04IBH
Former ID
DNC005721
Drug Name
3-(5-Bromo-6-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
C16H12BrNO
Canonical SMILES
COC1=C(C2=C(C=C1)C=C(C=C2)C3=CN=CC=C3)Br
InChI
1S/C16H12BrNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
InChIKey
ZVOWEWSHEFYCIY-UHFFFAOYSA-N
PubChem Compound ID
11616637
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [527801]
Cytochrome P450 19 Target Info Inhibitor [527801]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathwayshsa00140:Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Reactome Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-211976:Endogenous sterols
WikiPathways Metapathway biotransformation
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Corticotropin-releasing hormoneWP702:Metapathway biotransformation
Tryptophan metabolism
Ovarian Infertility Genes
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
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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