KU-55933   Click here for help

GtoPdb Ligand ID: 5928

Synonyms: ATM kinase inhibitor | KU55933
PDB Ligand
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.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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
InChI Key XRKYMMUGXMWDAO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(morpholin-4-yl)-6-(thianthren-1-yl)-4H-pyran-4-one
Synonyms Click here for help
ATM kinase inhibitor | KU55933
Database Links Click here for help
CAS Registry No. 587871-26-9
ChEMBL Ligand CHEMBL222102
GtoPdb PubChem SID 178102551
PubChem CID 5278396
RCSB PDB Ligand UF8
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UniChem Compound Search for chemical match using the InChIKey XRKYMMUGXMWDAO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XRKYMMUGXMWDAO-UHFFFAOYSA-N

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Tocris
KU 55933
Cat. No. 3544