GtoPdb Ligand ID: 5928

Synonyms: ATM kinase inhibitor | KU55933
Compound class: Synthetic organic
Comment: KU-55933 is a potent and selective inhibitor of the ataxia-telangiectasia mutated (ATM) kinase [3], used to investigate the DNA damage repair response, particularly in relation to exploiting this pathway to discover novel cancer therapeutics.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 93.28
Molecular weight 395.06
XLogP 6.07
No. Lipinski's rules broken 1
Canonical SMILES O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1
Isomeric SMILES O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1
InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
Bioactivity Comments
KU-55933 is selective with respect to inhibition of other phosphatidylinositol 3'-kinase-like kinases. Cells treated with KU-55933 are sensitised to the effects of ionizing radiation and DNA damaging chemotherapy drugs (etoposide, doxorubicin, and camptothecin) [3].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ATM serine/threonine kinase Hs Inhibitor Inhibition 8.7 pKi - 3
pKi 8.7 (Ki 2.2x10-9 M) [3]
ATM serine/threonine kinase Hs Inhibitor Inhibition 7.9 pIC50 - 3
pIC50 7.9 (IC50 1.3x10-8 M) [3]