GSK2256098   Click here for help

GtoPdb Ligand ID: 7939

Synonyms: GSK-2256098
Compound class: Synthetic organic
Comment: GSK2256098 is a small molecule focal adhesion kinase (FAK) inhibitor with potential antiangiogenic and antineoplastic activity [1,3-4].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 93.1
Molecular weight 414.16
XLogP 4.67
No. Lipinski's rules broken 0
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Canonical SMILES CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cc(nn1C(C)C)C
Isomeric SMILES CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cc(nn1C(C)C)C
InChI InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)
1. Auger KR , Smitheman KN , Korenchuk S, McHugh C, Kruger R , Van Aller GS , Smallwood A, Gontarek RR, Faitg T , Johnson N. (2012)
387 The Focal Adhesion Kinase Inhibitor GSK2256098: a Potent and Selective Inhibitor for the Treatment of Cancer [Abstract].
European Journal of Cancer, 28 (Supplement 6).
2. GSK. 
Mesothelioma drug slows disease progression in patients with an inactive NF2 gene.
Accessed on 18/11/2014. Modified on 18/11/2014.,
3. Lee BY, Timpson P, Horvath LG, Daly RJ. (2015)
FAK signaling in human cancer as a target for therapeutics.
Pharmacol Ther, 146: 132-49. [PMID:25316657]
4. Schultze A, Fiedler W. (2011)
Clinical importance and potential use of small molecule inhibitors of focal adhesion kinase.
Anticancer Agents Med Chem, 11 (7): 593-9. [PMID:21787277]
5. Zhang J, He DH, Zajac-Kaye M, Hochwald SN. (2014)
A small molecule FAK kinase inhibitor, GSK2256098, inhibits growth and survival of pancreatic ductal adenocarcinoma cells.
Cell Cycle, 13 (19): 3143-9. [PMID:25486573]