GW853606   Click here for help

GtoPdb Ligand ID: 8645

Synonyms: compound 22 [PMID: 19097784] | GW853606X
Compound class: Synthetic organic
Comment: GW853606 is an inhibitor of the polo-like kinase, PLK1 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 97.86
Molecular weight 494.99
XLogP 4.8
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2c1cc(cc2)C(F)(F)F
Isomeric SMILES NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2c1cc(cc2)C(F)(F)F
InChI InChI=1S/C20H13BrF3N3O2S/c21-13-4-2-1-3-11(13)9-29-16-8-17(30-18(16)19(25)28)27-10-26-14-6-5-12(7-15(14)27)20(22,23)24/h1-8,10H,9H2,(H2,25,28)
Bioactivity Comments
CLK4 (CDC-like kinase 4 ) is suggested as an additional molecular target.
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
polo like kinase 1 Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 9x10-9 M) [1]