Ligand id: 7910

Name: defactinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 150.48
Molecular weight 510.14
XLogP 2.22
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
Phosphorylation of FAK at Tyr397 is time and dose-dependently inhibited in response to defactinib treatment [3], and defactinib in combination with paclitaxel, inhibits tumour cell proliferation in vitro and in vivo. Defactinib is a weak inhibitor of CYP3A, so is expected to be more effective in combination with docetaxel than the first generation FAK inhibitor PF-562271 (which is a potent CYP3A inhibitor, so may cause toxicity in combination with docetaxel) [4].