Drug Information

Drug General Information
Drug ID
D0G9WP
Former ID
DNC009637
Drug Name
5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529834]
Structure
Download
2D MOL

3D MOL
Formula
C14H11NO
Canonical SMILES
C1CC(=O)C2=C1C=C(C=C2)C3=CN=CC=C3
InChI
1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2
InChIKey
QNSOPUXDEXJMIY-UHFFFAOYSA-N
PubChem Compound ID
18407230
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529834]
Cytochrome P450 19 Target Info Inhibitor [529834]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathwayshsa00140:Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Reactome Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-211976:Endogenous sterols
WikiPathways Metapathway biotransformation
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Corticotropin-releasing hormoneWP702:Metapathway biotransformation
Tryptophan metabolism
Ovarian Infertility Genes
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.