Drug General Information
Drug ID
D0E0ZS
Former ID
DNC011105
Drug Name
N-(4'-Isonicotinoylbiphenyl-3-yl)acetamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531085]
Structure
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2D MOL

3D MOL

Formula
C20H18N2O
Canonical SMILES
CC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)CC3=CC=NC=C3
InChI
1S/C20H18N2O/c1-15(23)22-20-4-2-3-19(14-20)18-7-5-16(6-8-18)13-17-9-11-21-12-10-17/h2-12,14H,13H2,1H3,(H,22,23)
InChIKey
HURKLDLRCGKBKL-UHFFFAOYSA-N
PubChem Compound ID
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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