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

1. A-Gonz├ílez N, Castrillo A. (2011)
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways.
Biochim. Biophys. Acta, 1812 (8): 982-94. [PMID:21193033]
2. Golubovskaya VM, Cance WG. (2007)
Focal adhesion kinase and p53 signaling in cancer cells.
Int. Rev. Cytol., 263: 103-53. [PMID:17725966]
3. Kang Y, Hu W, Ivan C, Dalton HJ, Miyake T, Pecot CV, Zand B, Liu T, Huang J, Jennings NB et al.. (2013)
Role of focal adhesion kinase in regulating YB-1-mediated paclitaxel resistance in ovarian cancer.
J. Natl. Cancer Inst., 105 (19): 1485-95. [PMID:24062525]
4. Lin HM, Lee BY, Castillo L, Spielman C, Grogan J, Yeung NK, Kench JG, Stricker PD, Haynes AM, Centenera MM et al.. (2018)
Effect of FAK inhibitor VS-6063 (defactinib) on docetaxel efficacy in prostate cancer.
Prostate, 78 (4): 308-317. [PMID:29314097]
5. Owens LV, Xu L, Dent GA, Yang X, Sturge GC, Craven RJ, Cance WG. (1996)
Focal adhesion kinase as a marker of invasive potential in differentiated human thyroid cancer.
Ann. Surg. Oncol., 3 (1): 100-5. [PMID:8770310]
6. Polte TR, Hanks SK. (1995)
Interaction between focal adhesion kinase and Crk-associated tyrosine kinase substrate p130Cas.
Proc. Natl. Acad. Sci. U.S.A., 92 (23): 10678-82. [PMID:7479864]
7. Provenzano PP, Keely PJ. (2009)
The role of focal adhesion kinase in tumor initiation and progression.
Cell Adh Migr, 3 (4): 347-50. [PMID:19690467]
8. Schaller MD, Hildebrand JD, Shannon JD, Fox JW, Vines RR, Parsons JT. (1994)
Autophosphorylation of the focal adhesion kinase, pp125FAK, directs SH2-dependent binding of pp60src.
Mol. Cell. Biol., 14 (3): 1680-8. [PMID:7509446]