Ligand id: 5663

Name: barasertib-hQPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 128.29
Molecular weight 507.24
XLogP 3.02
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
aurora kinase B Hs Inhibitor Inhibition 8.3 pKd - 2
pKd 8.3 (Kd 4.6x10-9 M) [2]
aurora kinase B Hs Inhibitor Inhibition >9.0 pIC50 - 5
pIC50 >9.0 (IC50 <1x10-9 M) This data refers to Compound 7 in Table 7 of the listed reference. [5]