Drug General Information
Drug ID
D05FFY
Former ID
DNC004483
Drug Name
1-(4-Cyanobenzyl)-5-methyl-1H-imidazole
Synonyms
4-(5-Methyl-imidazol-1-ylmethyl)-benzonitrile
Indication Discovery agent Investigative [530679]
Structure
Download
2D MOL

3D MOL

Canonical SMILES
CC1=CN=CN1CC2=CC=C(C=C2)C#N
InChI
1S/C12H11N3/c1-10-7-14-9-15(10)8-12-4-2-11(6-13)3-5-12/h2-5,7,9H,8H2,1H3
InChIKey
JYTDMONWVZXEMX-UHFFFAOYSA-N
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [530679]
Cytochrome P450 19 Target Info Inhibitor [529291]
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 530679J Med Chem. 2010 Feb 25;53(4):1712-25.Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).
Ref 529291J Med Chem. 1991 Feb;34(2):725-36.Fadrozole hydrochloride: a potent, selective, nonsteroidal inhibitor of aromatase for the treatment of estrogen-dependent disease.
Ref 530679J Med Chem. 2010 Feb 25;53(4):1712-25.Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).

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