CCT241533

Ligand id: 8044

Name: CCT241533

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 91.85
Molecular weight 442.2
XLogP 2.01
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
Known off-targets include phosphorylase kinase (PHK) and MAP/microtubule affinity-regulating kinase 3 (MARK3).
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
checkpoint kinase 2 Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]
checkpoint kinase 1 Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 1.9x10-7 M) [1]