CRT 0066101

Ligand id: 8048

Name: CRT 0066101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 101.88
Molecular weight 338.19
XLogP 1.16
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
CRT 0066101 blocks pancreatic cancer growth in vitro and in vivo [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
protein kinase D1 Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
protein kinase D3 Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 2x10-9 M) [1]
protein kinase D2 Inhibitor Inhibition 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.5x10-9 M) [1]