compound 68 [PMID: 24900699]

Ligand id: 8165

Name: compound 68 [PMID: 24900699]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 112.02
Molecular weight 430.99
XLogP 4.17
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
dual specificity tyrosine phosphorylation regulated kinase 1A Inhibitor Inhibition 9.8 pIC50 - 4
pIC50 9.8 (IC50 1.6x10-10 M) [4]
dual specificity tyrosine phosphorylation regulated kinase 1B Inhibitor Inhibition 9.6 pIC50 - 4
pIC50 9.6 (IC50 2.4x10-10 M) [4]