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CHEBI:228206 - KU-60019

Default Structure
ChEBI IDCHEBI:228206
ChEBI NameKU-60019
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of [(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid with the amino group of 2-(7-amino-9H-thioxanthen-4-yl)-6-(morpholin-4-yl)-4H-pyran-4-one. It is an ATM kinase inhibitor (IC50 = 6.3 nM).
Secondary ChEBI IDCHEBI:91416
Last Modified14 November 2023
Submitterwctseng
DownloadsMolfile
FormulaC30H33N3O5S
Net Charge0
Average Mass547.677
Monoisotopic Mass547.21409
SMILESC[C@@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1
InChIInChI=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+
InChIKeySCELLOWTHJGVIC-BGYRXZFFSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
autophagy inducer  Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
Applications:
radiosensitizing agent  A drug that makes increases the sensitivity of tumour cells to radiation therapy.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
KU-60019 (CHEBI:228206) has role antineoplastic agent (CHEBI:35610)
KU-60019 (CHEBI:228206) has role autophagy inducer (CHEBI:138880)
KU-60019 (CHEBI:228206) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
KU-60019 (CHEBI:228206) has role radiosensitizing agent (CHEBI:132992)
KU-60019 (CHEBI:228206) is a 4-pyranones (CHEBI:131906)
KU-60019 (CHEBI:228206) is a morpholines (CHEBI:38785)
KU-60019 (CHEBI:228206) is a secondary carboxamide (CHEBI:140325)
KU-60019 (CHEBI:228206) is a tertiary amino compound (CHEBI:50996)
KU-60019 (CHEBI:228206) is a thioxanthenes (CHEBI:50930)
IUPAC Name 
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-{5-[6-(morpholin-4-yl)-4-oxo-4H-pyran-2-yl]-9H-thioxanthen-2-yl}acetamide
Synonyms  Source
KU 60019ChEBI
KU60019ChEBI
Manual XrefsDatabases
LSM-1156LINCS
Registry NumbersSources
CAS:925701-46-8ChEBI
CAS:925701-49-1ChEBI
Citations