ixazomib (CHEBI:90942)

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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

Average Mass

361.029

Monoisotopic Mass

360.08149

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.

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

Last Modified

22 February 2017