Ligand id: 5717

Name: vandetanib

Structure and Physico-chemical Properties

2D Structure
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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 4.14
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 catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
ret proto-oncogene Hs Inhibitor Inhibition 7.5 pKd - 3
pKd 7.5 (Kd 3.4x10-8 M) [3]
kinase insert domain receptor Hs Inhibitor Inhibition 8.0 pIC50 - 5
pIC50 8.0 (IC50 9x10-9 M) [5]
ret proto-oncogene Hs Inhibitor Inhibition 7.0 – 8.4 pIC50 - 2,6
pIC50 8.4 (IC50 4x10-9 M) [6]
Description: In a biochemical assay.
pIC50 7.0 (IC50 1x10-7 M) [2]
epidermal growth factor receptor Hs Inhibitor Inhibition 6.5 pIC50 - 2
pIC50 6.5 (IC50 3x10-7 M) [2]