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CHEBI:85572 - Ku-0063794

ChEBI IDCHEBI:85572
ChEBI NameKu-0063794
Stars
DefinitionA member of the class of pyridopyrimidines that is an mTOR inhibitor and shows anti-tumour properties.
Last Modified15 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC25H31N5O4
Net Charge0
Average Mass465.554
Monoisotopic Mass465.23760
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CO
InChIInChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+
InChIKeyRFSMUFRPPYDYRD-CALCHBBNSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
mTOR inhibitor  A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Ku-0063794 (CHEBI:85572) has role antineoplastic agent (CHEBI:35610)
Ku-0063794 (CHEBI:85572) has role mTOR inhibitor (CHEBI:68481)
Ku-0063794 (CHEBI:85572) is a benzyl alcohols (CHEBI:22743)
Ku-0063794 (CHEBI:85572) is a monomethoxybenzene (CHEBI:25235)
Ku-0063794 (CHEBI:85572) is a morpholines (CHEBI:38785)
Ku-0063794 (CHEBI:85572) is a pyridopyrimidine (CHEBI:38932)
Ku-0063794 (CHEBI:85572) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(5-{2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol
Synonyms  Source
KU0063794ChemIDplus
KU-63794ChemIDplus
Manual XrefsDatabases
LSM-5754LINCS
Registry NumbersSources
Reaxys:12909210Reaxys
CAS:938440-64-3ChemIDplus
Citations