Drug General Information
Drug ID
D0E8DX
Former ID
DNC009640
Drug Name
6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529834]
Structure
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2D MOL

3D MOL

Formula
C14H12N2S
Canonical SMILES
C1CC(=S)NC2=C1C=C(C=C2)C3=CN=CC=C3
InChI
1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17)
InChIKey
BBIRVEDVKRWBOZ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [529834]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529834]
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 529834J Med Chem. 2008 Dec 25;51(24):8077-87.In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives.
Ref 529834J Med Chem. 2008 Dec 25;51(24):8077-87.In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives.

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