empesertib

Ligand id: 9427

Name: empesertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 123.07
Molecular weight 559.17
XLogP 5.12
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

Bioactivity Comments
BAY1161909 works synergistically with the antimitotic cancer drug paclitaxel in vivo [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TTK protein kinase Hs Inhibitor Inhibition >8.0 pIC50 - 1
pIC50 >8.0 (IC50 <1x10-8 M) [1]