GSK864

Ligand id: 8961

Name: GSK864

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 135.34
Molecular weight 558.24
XLogP 2.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(7S)-1-[(4-fluorophenyl)methyl]-3-N-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,6-dihydropyrazolo[4,3-c]pyridine-3,7-dicarboxamide
Synonyms
compound 4 [PMID: 26436839]
Database Links
PubChem CID 91864701
Search Google for chemical match using the InChIKey DUCNNEYLFOQFSW-PMERELPUSA-N
Search Google for chemicals with the same backbone DUCNNEYLFOQFSW
Search UniChem for chemical match using the InChIKey DUCNNEYLFOQFSW-PMERELPUSA-N
Search UniChem for chemicals with the same backbone DUCNNEYLFOQFSW
Comments
GSK864 is a potent and selective allosteric inhibitor of mutant isocitrate dehydrogenase 1 (IDH1) [1]. The compound is available from the Structural Genomics Consortium, from their Epigenetics Probes Collection.