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)
Bioactivity Comments
GSK2256098 inhibits Y397 phosphorylation in L3.6P1 (pancreatic ductal adenocarcinoma) cells and this correlates to decreased downstream ERK and Akt phosphorylation [5]. GSK2256098 exposure in vitro also dose-dependently inhibits cell viability, anchorage-independent growth, and motility in these cells [5].