Drug General Information
Drug ID	D0B9XL
Former ID	DNC008204
Drug Name	1-(1-(4-thiophen-3-yl-phenyl)propyl)-1Himidazole
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529201]
Structure		Download 2D MOL 3D MOL
Formula	C16H16N2S
Canonical SMILES	CCC(C1=CC=C(C=C1)C2=CSC=C2)N3C=CN=C3
InChI	1S/C16H16N2S/c1-2-16(18-9-8-17-12-18)14-5-3-13(4-6-14)15-7-10-19-11-15/h3-12,16H,2H2,1H3
InChIKey	JCRCIQARESXRFA-UHFFFAOYSA-N
PubChem Compound ID	25099144
Target and Pathway
Target(s)	17 alpha-hydroxylase-C17, 20-lyase	Target Info	Inhibitor	[529201]
BioCyc Pathway	Superpathway of steroid hormone biosynthesis
	Glucocorticoid biosynthesis
	Androgen biosynthesis
KEGG Pathway	Steroid hormone biosynthesis
	Metabolic pathways
	Ovarian steroidogenesis
	Prolactin signaling pathway
PathWhiz Pathway	Androgen and Estrogen Metabolism
	Steroidogenesis
Reactome	Androgen biosynthesis
	Glucocorticoid biosynthesis
	Endogenous sterols
WikiPathways	Metapathway biotransformation
	Steroid Biosynthesis
	Oxidation by Cytochrome P450
	Metabolism of steroid hormones and vitamin D
	Glucocorticoid & Mineralcorticoid Metabolism
	Prostate Cancer
	Phase 1 - Functionalization of compounds
References
Ref 529201	Bioorg Med Chem. 2008 Feb 15;16(4):1992-2010. Epub 2007 Nov 4.Synthesis, biological evaluation and molecular modelling studies of methyleneimidazole substituted biaryls as inhibitors of human 17alpha-hydroxylase-17,20-lyase (CYP17). Part I: Heterocyclic modifications of the core structure.
Ref 529201	Bioorg Med Chem. 2008 Feb 15;16(4):1992-2010. Epub 2007 Nov 4.Synthesis, biological evaluation and molecular modelling studies of methyleneimidazole substituted biaryls as inhibitors of human 17alpha-hydroxylase-17,20-lyase (CYP17). Part I: Heterocyclic modifications of the core structure.

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