barasertib

Ligand id: 7332

Name: barasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 16
Topological polar surface area 184.63
Molecular weight 587.21
XLogP 2.78
No. Lipinski's rules broken 2

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
aurora kinase B Inhibitor Inhibition 9.4 pIC50 - 6
pIC50 9.4 (IC50 3.7x10-10 M) [6]
aurora kinase A Inhibitor Inhibition 5.9 pIC50 - 6
pIC50 5.9 (IC50 1.368x10-6 M) [6]