compound 1 [PMID: 21742770]

Ligand id: 8190

Name: compound 1 [PMID: 21742770]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 67.68
Molecular weight 444.23
XLogP 3.6
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
Compound 1 is not selective for STK33 compared to Aurora kinase B [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 B Inhibitor Inhibition 8.6 pIC50 - 2
pIC50 8.6 (IC50 2.8x10-9 M) [2]
serine/threonine kinase 33 Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
protein kinase A Inhibitor Inhibition 6.7 pIC50 - 2
pIC50 6.7 (IC50 1.96x10-7 M) [2]