CHEBI:85572 - Ku-0063794

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ChEBI Name Ku-0063794
ChEBI ID CHEBI:85572
Definition A member of the class of pyridopyrimidines that is an mTOR inhibitor and shows anti-tumour properties.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H31N5O4
Net Charge 0
Average Mass 465.54470
Monoisotopic Mass 465.238
InChI InChI=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+
InChIKey RFSMUFRPPYDYRD-CALCHBBNSA-N
SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
KU-63794 ChemIDplus
KU0063794 ChemIDplus
Manual Xref Database
LSM-5754 LINCS
View more database links
Registry Numbers Types Sources
12909210 Reaxys Registry Number Reaxys
938440-64-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19402821 PubMed citation Europe PMC
23349989 PubMed citation Europe PMC
25618298 PubMed citation Europe PMC
25651869 PubMed citation Europe PMC
Last Modified
15 July 2016