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 GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
C-terminal Src kinase Hs Inhibitor Inhibition 6.3 pIC50 - 3
pIC50 6.3 (IC50 5.3x10-7 M) [3]
Description: Assay used apatinib mesylate (YN968D1)
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
kinase insert domain receptor Hs Inhibitor Inhibition 9.0 pIC50 - 3
pIC50 9.0 (IC50 1x10-9 M) [3]
Description: Assay used apatinib mesylate (YN968D1)
ret proto-oncogene Hs 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 Hs Inhibitor Inhibition 6.4 pIC50 - 3
pIC50 6.4 (IC50 4.29x10-7 M) [3]
Description: Assay used apatinib mesylate (YN968D1)