compound 3 [Tuttle et al., 2013]

Ligand id: 8815

Name: compound 3 [Tuttle et al., 2013]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 75.79
Molecular weight 270.1
XLogP 3.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one
Database Links
ChEMBL Ligand CHEMBL2321944
PubChem CID 59627101
Search Google for chemical match using the InChIKey COBQSWIQOSRUIK-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone COBQSWIQOSRUIK
Search UniChem for chemical match using the InChIKey COBQSWIQOSRUIK-ZDUSSCGKSA-N
Search UniChem for chemicals with the same backbone COBQSWIQOSRUIK
Comments
Compound 3 resulted from a SAR study to identify aminoadipate aminotransferase (KATII; AADAT) inhibitors as potential therapeutics for the treatment of psychiatric and neurological disorders [1].