foretinib

Ligand id: 5679

Name: foretinib

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 111.25
Molecular weight 632.24
XLogP 4.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Davis MI, Hunt JP, Herrgard S, Ciceri P, Wodicka LM, Pallares G, Hocker M, Treiber DK, Zarrinkar PP. (2011)
Comprehensive analysis of kinase inhibitor selectivity.
Nat. Biotechnol., 29 (11): 1046-51. [PMID:22037378]
2. Li S, Huang Q, Liu Y, Zhang X, Liu S, He C, Gong P. (2013)
Design, synthesis and antitumour activity of bisquinoline derivatives connected by 4-oxy-3-fluoroaniline moiety.
Eur J Med Chem, 64: 62-73. [PMID:23644189]
3. Musumeci F, Radi M, Brullo C, Schenone S. (2012)
Vascular endothelial growth factor (VEGF) receptors: drugs and new inhibitors.
J. Med. Chem., 55 (24): 10797-822. [PMID:23098265]
4. Qian F, Engst S, Yamaguchi K, Yu P, Won KA, Mock L, Lou T, Tan J, Li C, Tam D et al.. (2009)
Inhibition of tumor cell growth, invasion, and metastasis by EXEL-2880 (XL880, GSK1363089), a novel inhibitor of HGF and VEGF receptor tyrosine kinases.
Cancer Res., 69 (20): 8009-16. [PMID:19808973]
5. Wodicka LM, Ciceri P, Davis MI, Hunt JP, Floyd M, Salerno S, Hua XH, Ford JM, Armstrong RC, Zarrinkar PP et al.. (2010)
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.
Chem. Biol., 17 (11): 1241-9. [PMID:21095574]