danusertib

Ligand id: 7937

Name: danusertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 93.8
Molecular weight 474.24
XLogP 3.41
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!)

Bioactivity Comments
Danusertib is generally refered to as a pan-Aurora kinase inhibitor, based on inhibition of enzyme activity assays. Surface plasmon resonance (SPR) analysis has recently shown that the compound has a14-fold longer target residence time (τ) on Aurora B compared to Aurora A [2].
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 A Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.3x10-8 M) [1]
aurora kinase C Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.1x10-8 M) [1]
aurora kinase B Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 7.9x10-8 M) [1]
STE20 like kinase Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.21x10-7 M) [1]