Ligand id: 7332

Name: barasertib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 16
Topological polar surface area 184.63
Molecular weight 587.21
XLogP 2.11
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
aurora kinase B Hs Inhibitor Inhibition 9.4 pIC50 - 6
pIC50 9.4 (IC50 3.7x10-10 M) [6]
aurora kinase A Hs Inhibitor Inhibition 5.9 pIC50 - 6
pIC50 5.9 (IC50 1.368x10-6 M) [6]