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 GtoPdb and ChEMBL (where available) across species

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].