Ligand id: 8960

Name: enasidenib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 108.74
Molecular weight 473.14
XLogP 5.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Bioactivity Comments
IC50 values for biochemical inhibition of IDH2 mutants R140Q and R172K are between 100-1000nM [1]. Inhibition of wild type IDH2 was not assessed as the wild type enzyme does not produce the oncometabolite, 2-hydroxyglutarate (2-HG).
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
isocitrate dehydrogenase (NADP(+)) 2, mitochondrial Hs Inhibitor Binding - - - 1