Drug Information

Drug General Information
Drug ID
D0D9FR
Former ID
DNC004712
Drug Name
4-[5-Bromo-indan-(1Z)-ylidenemethyl]-pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527456]
Structure
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2D MOL

3D MOL
Formula
C15H12BrN
Canonical SMILES
C1CC(=CC2=CC=NC=C2)C3=C1C=C(C=C3)Br
InChI
1S/C15H12BrN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9-
InChIKey
MNQUPNOEJZVKRD-XFXZXTDPSA-N
PubChem Compound ID
6539795
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [527456]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [527456]
17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [527456]
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 527456J Med Chem. 2005 Mar 10;48(5):1563-75.Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase.
Ref 527456J Med Chem. 2005 Mar 10;48(5):1563-75.Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase.

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