ENMD-2076

Ligand id: 7885

Name: ENMD-2076

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 72.97
Molecular weight 375.22
XLogP 5.49
No. Lipinski's rules broken 1

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
aurora kinase A Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.4x10-8 M) [1]
SRC proto-oncogene, non-receptor tyrosine kinase Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 2x10-8 M) [1]
protein tyrosine kinase 2 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5.5x10-8 M) [1]
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
fms related tyrosine kinase 3 Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]
kinase insert domain receptor Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.6x10-8 M) [1]
platelet derived growth factor receptor alpha Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5.6x10-8 M) [1]