KU-60019   Click here for help

GtoPdb Ligand ID: 8041

Compound class: Synthetic organic
Comment: KU-60019 [1] is an inhibitor that can be used as a tool compound to study the activity of the atypical protein kinase ATM. Known off-target inhibition has been determined for the β, γ and δ PI3 kinases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 109.55
Molecular weight 547.21
XLogP 4.93
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1CC(C)OC(C1)C
Isomeric SMILES O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1C[C@H](C)O[C@@H](C1)C
InChI InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
Bioactivity Comments
KU-60019 is a highly effective radiosensitizer of human glioma cells [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ATM serine/threonine kinase Primary target of this compound Hs Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6.3x10-9 M) [1]