Drug Information

Drug General Information
Drug ID
D0K2DR
Former ID
DNC009638
Drug Name
5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529834]
Structure
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2D MOL

3D MOL
Formula
C13H10N2O
Canonical SMILES
C1C2=C(C=CC(=C2)C3=CN=CC=C3)NC1=O
InChI
1S/C13H10N2O/c16-13-7-11-6-9(3-4-12(11)15-13)10-2-1-5-14-8-10/h1-6,8H,7H2,(H,15,16)
InChIKey
LRXSVYIRRDZVNQ-UHFFFAOYSA-N
PubChem Compound ID
12050204
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [529834]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529834]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000141:Steroidogenesis
Reactome Endogenous sterolsR-HSA-194002:Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
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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