CHEBI:91329 - AZD-8055

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ChEBI Name AZD-8055
ChEBI ID CHEBI:91329
Definition A 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].
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:134611
Supplier Information No supplier information found for this compound.
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Formula C25H31N5O4
Net Charge 0
Average Mass 465.546
Monoisotopic Mass 465.23760
InChI InChI=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
InChIKey KVLFRAWTRWDEDF-IRXDYDNUSA-N
SMILES C12=NC(=NC(=C1C=CC(=N2)C=3C=C(CO)C(=CC3)OC)N4[C@H](COCC4)C)N5[C@H](COCC5)C
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.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
AZD 8055 ChemIDplus
AZD8055 ChemIDplus
Manual Xref Database
LSM-1007 LINCS
View more database links
Registry Numbers Types Sources
1009298-09-2 CAS Registry Number ChemIDplus
13107120 Reaxys Registry Number Reaxys
Citations
Last Modified
20 February 2017