compound 8 [PMID: 17562362}

Ligand id: 8886

Name: compound 8 [PMID: 17562362}

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 141.26
Molecular weight 361.01
XLogP 0.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid
Database Links
BindingDB Ligand 50215294
ChEMBL Ligand CHEMBL248247
GtoPdb PubChem SID 310264667
PubChem CID 9863759
Search Google for chemical match using the InChIKey JQCXJCAKYWSWCH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JQCXJCAKYWSWCH
Search UniChem for chemical match using the InChIKey JQCXJCAKYWSWCH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JQCXJCAKYWSWCH
Comments
Compound 8 is the most potent N-methyl-D-aspartate receptor antagonist reported in [1]. The compound is likely to bind to the glycine binding site of the GluN1 component of the receptor.