CHEBI:90942 - ixazomib

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ChEBI Name ixazomib
ChEBI ID CHEBI:90942
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H19BCl2N2O4
Net Charge 0
Average Mass 361.029
Monoisotopic Mass 360.081
InChI InChI=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
InChIKey MXAYKZJJDUDWDS-LBPRGKRZSA-N
SMILES C(NCC(=O)N[C@@H](CC(C)C)B(O)O)(C1=CC(=CC=C1Cl)Cl)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
drug metabolite

Application(s): 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.
proteasome inhibitor
A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 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
ixazomib ChemIDplus
Synonyms Sources
MLN 2238 ChemIDplus
MLN-2238 ChemIDplus
MLN2238 ChemIDplus
Manual Xrefs Databases
5067 DrugCentral
D10130 KEGG DRUG
Ixazomib Wikipedia
LSM-4944 LINCS
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Registry Numbers Types Sources
1072833-77-2 CAS Registry Number ChemIDplus
1072833-77-2 CAS Registry Number KEGG DRUG
18302358 Reaxys Registry Number Reaxys
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Last Modified
22 February 2017