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CHEBI:90942 - ixazomib

ChEBI IDCHEBI:90942
ChEBI Nameixazomib
Stars
DefinitionA glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC14H19BCl2N2O4
Net Charge0
Average Mass361.034
Monoisotopic Mass360.08149
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
InChIInChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyMXAYKZJJDUDWDS-LBPRGKRZSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
proteasome inhibitor  A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
orphan drug  Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease.
ChEBI Ontology
Outgoing Relation(s)
ixazomib (CHEBI:90942) has role antineoplastic agent (CHEBI:35610)
ixazomib (CHEBI:90942) has role apoptosis inducer (CHEBI:68495)
ixazomib (CHEBI:90942) has role drug metabolite (CHEBI:49103)
ixazomib (CHEBI:90942) has role orphan drug (CHEBI:71031)
ixazomib (CHEBI:90942) has role proteasome inhibitor (CHEBI:52726)
ixazomib (CHEBI:90942) is a benzamides (CHEBI:22702)
ixazomib (CHEBI:90942) is a boronic acids (CHEBI:38269)
ixazomib (CHEBI:90942) is a dichlorobenzene (CHEBI:23697)
ixazomib (CHEBI:90942) is a glycine derivative (CHEBI:24373)
Incoming Relation(s)
ixazomib citrate (CHEBI:90939) has functional parent ixazomib (CHEBI:90942)
IUPAC Name 
N-[(1R)-1-borono-3-methylbutyl]-N2-(2,5-dichlorobenzoyl)glycinamide
INN  Source
ixazomibChemIDplus
Synonyms  Source
MLN2238ChemIDplus
MLN 2238ChemIDplus
MLN-2238ChemIDplus
Manual XrefsDatabases
D10130KEGG DRUG
IxazomibWikipedia
LSM-4944LINCS
5067DrugCentral
Registry NumbersSources
Reaxys:18302358Reaxys
CAS:1072833-77-2KEGG DRUG
CAS:1072833-77-2ChemIDplus
Citations