Drug General Information
Drug ID
D0E9WX
Former ID
DNC004645
Drug Name
5-[5-Bromo-indan-(1E)-ylidenemethyl]-1H-imidazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527475]
Structure
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2D MOL

3D MOL

Formula
C13H11BrN2
Canonical SMILES
C1CC(=CC2=CN=CN2)C3=C1C=C(C=C3)Br
InChI
1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)/b10-6+
InChIKey
SNWLVVNOSVKKRA-UXBLZVDNSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [527475]
Cytochrome P450 19 Target Info Inhibitor [527475]
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 527475J Med Chem. 2005 Mar 24;48(6):1796-805.Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase.
Ref 527475J Med Chem. 2005 Mar 24;48(6):1796-805.Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase.

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