vandetanib

Ligand id: 5717

Name: vandetanib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59.51
Molecular weight 474.11
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 catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ret proto-oncogene Inhibitor Inhibition 7.5 pKd - 3
pKd 7.5 (Kd 3.4x10-8 M) [3]
kinase insert domain receptor Inhibitor Inhibition 8.0 pIC50 - 5
pIC50 8.0 (IC50 9x10-9 M) [5]
ret proto-oncogene Inhibitor Inhibition 7.0 pIC50 - 2
pIC50 7.0 (IC50 1x10-7 M) [2]
epidermal growth factor receptor Inhibitor Inhibition 6.5 pIC50 - 2
pIC50 6.5 (IC50 3x10-7 M) [2]