compound 31 [PMID: 20936789]

Ligand id: 8180

Name: compound 31 [PMID: 20936789]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 120.03
Molecular weight 416.21
XLogP 1.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
NIMA related kinase 1 Inhibitor Inhibition 6.8 pIC50 - 1
pIC50 6.8 (IC50 1.7x10-7 M) [1]
NIMA related kinase 2 Inhibitor Inhibition 6.6 pIC50 - 1
pIC50 6.6 (IC50 2.3x10-7 M) [1]