IXAZOMIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H19BCl2N2O4
Molecular Weight	361.029
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IXAZOMIB

Structure Search

SMILES

CC(C)C[C@H](NC(=O)CNC(=O)C1=C(Cl)C=CC(Cl)=C1)B(O)O

InChI

InChIKey=MXAYKZJJDUDWDS-LBPRGKRZSA-N

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

HIDE SMILES / InChI

Molecular Formula	C14H19BCl2N2O4
Molecular Weight	361.029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:17:41 UTC 2023` Edited by `admin` on `Fri Dec 15 18:17:41 UTC 2023`
Record UNII	71050168A2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IXAZOMIB

Official Name

English

IXAZOMIB [MI]

Common Name

English

MLN2238

Code

English

IXAZOMIB [USAN]

Common Name

English

MLN-9708 FREE BASE

Code

English

MLN-2238

Code

English

((1R)-1-((2,5-DICHLOROBENZAMIDO)ACETAMIDO)-3-METHYLBUTYL)BORONIC ACID

Systematic Name

English

Ixazomib [WHO-DD]

Common Name

English

ixazomib [INN]

Common Name

English

BORONIC ACID, B-((1R)-1-((2-((2,5-DICHLOROBENZOYL)AMINO)ACETYL)AMINO)-3-METHYLBUTYL)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2160

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

WHO-ATC

L01XX50

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

NDF-RT

N0000175604

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

EU-Orphan Drug

EU/3/12/1060

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

Code System Code Type Description

DRUG CENTRAL

5067

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

PUBCHEM

25183872

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

CAS

1072833-77-2

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

LACTMED

Ixazomib

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

RXCUI

1723735

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

RxNorm

NCI_THESAURUS

C97940

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

SMS_ID

100000144580

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

DRUG BANK

DB09570

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

EVMPD

SUB121332

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

FDA UNII

71050168A2

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

DAILYMED

71050168A2

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

CHEBI

90942

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

WIKIPEDIA

Ixazomib

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

INN

9411

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

EPA CompTox

DTXSID701025662

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

MERCK INDEX

m11904

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

USAN

YY-46

Created by admin on Fri Dec 15 18:17:41 UTC 2023 , Edited by admin on Fri Dec 15 18:17:41 UTC 2023

PRIMARY

Related Record Type Details


					V2PSF7XPN9

TARGET -> INHIBITOR


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE

Comments:

CYP 1A2 CONTRIBUTES FOR 26% OF IXAZOMIB METABOLISM


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> SUBSTRATE

Comments:

At higher than clinical concentrations, ixazomib was metabolized by multiple CYP isoforms with estimated relative contributions of 3A4 (42%), 1A2 (26%), 2B6 (16%), 2C8 (6%), 2D6 (5%), 2C19 (5%) and 2C9 (< 1%).

Amount:

71050168A2

IXAZOMIB

EXCRETED UNCHANGED

Comments:

62% of the 4.1 MG dose recovered in the urine (3.3% as unchanged drug)

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Comments:

At higher than clinical concentrations, ixazomib was metabolized by multiple CYP isoforms with estimated relative contributions of 3A4 (42%), 1A2 (26%), 2B6 (16%), 2C8 (6%), 2D6 (5%), 2C19 (5%) and 2C9 (< 1%).

Amount:


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE

Comments:

At higher than clinical concentrations, ixazomib was metabolized by multiple CYP isoforms with estimated relative contributions of 3A4 (42%), 1A2 (26%), 2B6 (16%), 2C8 (6%), 2D6 (5%), 2C19 (5%) and 2C9 (< 1%).

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE

Comments:

At higher than clinical concentrations, ixazomib was metabolized by multiple CYP isoforms with estimated relative contributions of 3A4 (42%), 1A2 (26%), 2B6 (16%), 2C8 (6%), 2D6 (5%), 2C19 (5%) and 2C9 (< 1%).

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Comments:

CYP 3A CONTRIBUTES FOR 42% OF IXAZOMIB METABOLISM

Interaction Type:

MAJOR

Amount:


					0UY97CSG1T

CYTOCHROME P450 2B6

METABOLIC ENZYME -> SUBSTRATE

Comments:

CYP 2B6 CONTRIBUTES FOR 16% OF IXAZOMIB METABOLISM


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					4Y87E976TA

2,5-DICHLORO-N-(2-(3-METHYLBUTANOYLAMINO)-2-OXO-ETHYL)BENZAMIDE

METABOLITE -> PARENT


					F4ZCW2E9FU

2,5-DICHLOROBENZAMIDE

METABOLITE -> PARENT


					Y3W8BRL8JJ

BENZAMIDE, N-(2-AMINO-2-OXOETHYL)-2,5-DICHLORO-

METABOLITE -> PARENT


					45L362USG7

BENZAMIDE, 2,5-DICHLORO-N-(2-((2-HYDROXY-3-METHYLPENTYL)AMINO)-2-OXOETHYL)-

METABOLITE -> PARENT


					3FJ9F8MWN2

((1R)-1-((2-((2,5-DICHLOROBENZOYL)AMINO)ACETYL)AMINO)-3-METHYL-BUT-3-ENYL)BORONIC ACID

METABOLITE -> PARENT


					QQH7JVD5TT

N-(2,5-DICHLOROBENZOYL)GLYCINE

METABOLITE -> PARENT


					45L362USG7

BENZAMIDE, 2,5-DICHLORO-N-(2-((2-HYDROXY-3-METHYLPENTYL)AMINO)-2-OXOETHYL)-

METABOLITE -> PARENT

Related Record Type Details

71050168A2

IXAZOMIB

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC