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CHEBI:91329 - AZD-8055

ChEBI IDCHEBI:91329
ChEBI NameAZD-8055
Stars
DefinitionA pyridopyrimidine that is pyrido[2,3-d]pyrimidine which is substituted at positions 2 and 4 by (3S)-3-methylmorpholin-4-yl groups and at position 5 by a 3-(hydroxymethyl)-4-methoxyphenyl group. It is an mTOR complex 1/2 (mTORC1/2) dual inhibitor [mTOR = mammalian target of rapamycin].
Secondary ChEBI IDCHEBI:134611
Last Modified20 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H31N5O4
Net Charge0
Average Mass465.554
Monoisotopic Mass465.23760
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO
InChIInChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyKVLFRAWTRWDEDF-IRXDYDNUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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)
AZD-8055 (CHEBI:91329) has role antineoplastic agent (CHEBI:35610)
AZD-8055 (CHEBI:91329) has role apoptosis inducer (CHEBI:68495)
AZD-8055 (CHEBI:91329) has role mTOR inhibitor (CHEBI:68481)
AZD-8055 (CHEBI:91329) is a benzyl alcohols (CHEBI:22743)
AZD-8055 (CHEBI:91329) is a morpholines (CHEBI:38785)
AZD-8055 (CHEBI:91329) is a pyridopyrimidine (CHEBI:38932)
AZD-8055 (CHEBI:91329) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
{5-[2,4-bis(3S)(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl}methanol
Synonyms  Source
AZD 8055ChemIDplus
AZD8055ChemIDplus
Manual XrefsDatabases
LSM-1007LINCS
Registry NumbersSources
Reaxys:13107120Reaxys
CAS:1009298-09-2ChemIDplus
Citations