sorafenib

Ligand id: 5711

Name: sorafenib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 92.35
Molecular weight 464.09
XLogP 5.13
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!)

Bioactivity Comments
Sorafenib significantly inhibits neovascularization in xenograft models of human colon, breast, and non-small-cell lung cancer [6].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 8 Inhibitor Inhibition 7.0 pKd - 2
pKd 7.0 (Kd 9.96x10-8 M) [2]
Description: CDK8/cyclin C.
cyclin dependent kinase 19 Inhibitor Inhibition 7.0 pKd - 2
pKd 7.0 (Kd 1.03x10-7 M) [2]
Description: CDK19/cyclin C.
Raf-1 proto-oncogene, serine/threonine kinase Inhibitor Inhibition 8.2 pIC50 - 6
pIC50 8.2 (IC50 6x10-9 M) [6]
B-Raf proto-oncogene, serine/threonine kinase Inhibitor Inhibition 7.7 pIC50 - 6
pIC50 7.7 (IC50 2.2x10-8 M) [6]
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 7.2 pKd - 3
pKd 7.2 (Kd 5.9x10-8 M) [3]
discoidin domain receptor tyrosine kinase 2 Inhibitor Inhibition 8.0 pIC50 - 5
pIC50 8.0 (IC50 1x10-8 M) [5]
ret proto-oncogene Inhibitor Inhibition 7.9 pIC50 - 5
pIC50 7.9 (IC50 1.4x10-8 M) [5]
fms related tyrosine kinase 3 Inhibitor Inhibition 7.2 pIC50 - 6
pIC50 7.2 (IC50 5.8x10-8 M) [6]
KIT proto-oncogene receptor tyrosine kinase Inhibitor Inhibition 7.2 pIC50 - 6
pIC50 7.2 (IC50 6.8x10-8 M) [6]
kinase insert domain receptor Inhibitor Inhibition 7.1 pIC50 - 6
pIC50 7.1 (IC50 9x10-8 M) [6]
fibroblast growth factor receptor 1 Inhibitor Inhibition 6.2 pIC50 - 6
pIC50 6.2 (IC50 5.8x10-7 M) [6]
Selectivity at mouse 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 4 Inhibitor Inhibition 7.7 pIC50 - 6
pIC50 7.7 (IC50 2x10-8 M) [6]
platelet derived growth factor receptor beta Inhibitor Inhibition 7.2 pIC50 - 6
pIC50 7.2 (IC50 5.7x10-8 M) [6]
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