Drug Information

Drug General Information
Drug ID
D03TRM
Former ID
DNC004643
Drug Name
5-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
C13H12N2
Canonical SMILES
C1CC(=CC2=CN=CN2)C3=CC=CC=C31
InChI
1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)/b11-7+
InChIKey
FXLOWXDBTSZJFZ-YRNVUSSQSA-N
PubChem Compound ID
6540032
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [527475]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [527475]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000141:Steroidogenesis
Reactome 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
Corticotropin-releasing hormone
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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