apatinib

Ligand id: 7648

Name: apatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 90.7
Molecular weight 397.19
XLogP 4.73
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
C-terminal Src kinase Inhibitor Inhibition 6.3 pIC50 - 3
pIC50 6.3 (IC50 5.3x10-7 M) [3]
Description: Assay used apatinib mesylate (YN968D1)
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
kinase insert domain receptor Inhibitor Inhibition 9.0 pIC50 - 3
pIC50 9.0 (IC50 1x10-9 M) [3]
Description: Assay used apatinib mesylate (YN968D1)
ret proto-oncogene Inhibitor Inhibition 7.9 pIC50 - 3
pIC50 7.9 (IC50 1.3x10-8 M) [3]
Description: Assay used apatinib mesylate (YN968D1)
KIT proto-oncogene receptor tyrosine kinase Inhibitor Inhibition 6.4 pIC50 - 3
pIC50 6.4 (IC50 4.29x10-7 M) [3]
Description: Assay used apatinib mesylate (YN968D1)