Drug General Information
Drug ID	D09HEA
Former ID	DNC004475
Drug Name	4-((1H-imidazol-1-yl)methyl)benzonitrile
Synonyms	1-(4-Cyanobenzyl)-1H-imidazole; 4-Imidazol-1-ylmethyl-benzonitrile
Indication	Discovery agent		Investigative	[528225]
Structure		Download 2D MOL 3D MOL
Canonical SMILES	C1=CC(=CC=C1CN2C=CN=C2)C#N
InChI	1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2
InChIKey	LUSFCTSUDCCYLQ-UHFFFAOYSA-N
Target and Pathway
Target(s)	Cytochrome P450 19	Target Info	Inhibitor	[529291]
	17 alpha-hydroxylase-C17, 20-lyase	Target Info	Inhibitor	[528225]
	Cytochrome P450 11B1, mitochondrial	Target Info	Inhibitor	[530679]
BioCyc Pathway	Superpathway of steroid hormone biosynthesis
	Estradiol biosynthesis II
	Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
	Glucocorticoid biosynthesis
	Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
	Mineralocorticoid biosynthesis
KEGG Pathway	Steroid hormone biosynthesis
	Metabolic pathways
	Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
	Ovarian steroidogenesis
	Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis
NetPath Pathway	FSH Signaling Pathway
PANTHER Pathway	Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway	Androgen and Estrogen MetabolismPW000045:Androgen and Estrogen Metabolism
	SteroidogenesisPW000141:Steroidogenesis
Reactome	Endogenous sterolsR-HSA-193048:Androgen biosynthesis
	Glucocorticoid biosynthesis
	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
	Steroid Biosynthesis
	Glucocorticoid & Mineralcorticoid Metabolism
	Prostate Cancer
	Corticotropin-releasing hormone
References
Ref 528225	Bioorg Med Chem Lett. 2006 Aug 1;16(15):4011-5. Epub 2006 Jun 5.Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)).
Ref 528225	Bioorg Med Chem Lett. 2006 Aug 1;16(15):4011-5. Epub 2006 Jun 5.Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)).
Ref 529291	J 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 530679	J 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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