Drug Information

Drug General Information
Drug ID
D00DSE
Former ID
DNC011107
Drug Name
4-(4'-Fluoro-biphenyl-4-ylmethyl)pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531085]
Structure
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2D MOL

3D MOL
Formula
C18H14FN
Canonical SMILES
C1=CC(=CC(=C1)F)C2=CC=C(C=C2)CC3=CC=NC=C3
InChI
1S/C18H14FN/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12H2
InChIKey
NDUUGOAGHNLAIZ-UHFFFAOYSA-N
PubChem Compound ID
49864196
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [531085]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [531085]
BioCyc Pathway 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 steroidogenesis
Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
SteroidogenesisPW000141:Steroidogenesis
Reactome Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-194002: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 compoundsWP702:Metapathway biotransformation
Corticotropin-releasing hormone
References
Ref 531085J 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 531085J 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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