Drug General Information
Drug ID	D0LJ9D
Former ID	DNC011110
Drug Name	4-(4-(thiophen-2-yl)benzyl)pyridine
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531085]
Structure		Download 2D MOL 3D MOL
Formula	C16H13NS
Canonical SMILES	C1=CSC(=C1)C2=CC=C(C=C2)CC3=CC=NC=C3
InChI	1S/C16H13NS/c1-2-16(18-11-1)15-5-3-13(4-6-15)12-14-7-9-17-10-8-14/h1-11H,12H2
InChIKey	ORQOALYZYXEWJV-UHFFFAOYSA-N
PubChem Compound ID	46901783
Target and Pathway
Target(s)	Cytochrome P450 11B1, mitochondrial	Target Info	Inhibitor	[531085]
	17 alpha-hydroxylase-C17, 20-lyase	Target Info	Inhibitor	[531085]
BioCyc Pathway	Superpathway of steroid hormone biosynthesis
	Glucocorticoid biosynthesis
	Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
	Androgen biosynthesis
KEGG Pathway	Steroid hormone biosynthesis
	Metabolic pathwayshsa00140:Steroid hormone biosynthesis
	Metabolic pathways
	Ovarian steroidogenesis
	Prolactin signaling pathway
PathWhiz Pathway	SteroidogenesisPW000045:Androgen and Estrogen Metabolism
	Steroidogenesis
Reactome	Glucocorticoid biosynthesis
	Endogenous sterolsR-HSA-193048:Androgen biosynthesis
	Endogenous sterols
WikiPathways	Metapathway biotransformation
	Oxidation by Cytochrome P450
	Metabolism of steroid hormones and vitamin D
	Corticotropin-releasing hormoneWP702:Metapathway biotransformation
	Steroid Biosynthesis
	Glucocorticoid & Mineralcorticoid Metabolism
	Prostate Cancer
	Phase 1 - Functionalization of compounds
References
Ref 531085	J Med Chem. 2010 Aug 12;53(15):5749-58.Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prostate cancer.
Ref 531085	J Med Chem. 2010 Aug 12;53(15):5749-58.Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prostate cancer.

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