e-Drug3D

1821

IXAZOMIB CITRATE

INN
IXAZOMIB CITRATE

cas 1239908-20-3

CLASS

ANTINEOPLASTIC
TREATMENT OF MULTIPLE MYELOMA
PROTEASOME INHIBITOR
PRODRUG OF IXAZOMIB
CHYMOTRYPSIN-LIKE ACTIVITY OF THE BETA 5 SUBUNIT OF THE 20S PROTEASOME

ROUTE (list)

ORAL

ATC code

L01XG03

PK parameters

Target

TARGET 20S PROTEASOME

DrugCentral

Proteasome subunit beta type-5 UNIPROT P28074 PSMB5

Download SDF file

1,3,2-Dioxaborolane-4,4-diacetic acid, 2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-

Formula:
C20H23BCl2N2O9

Calculated chemical properties:

MW 515.10
NB_atoms 34
XLogP -1.13
PSA 151.144
NB_HD 2
NB_HA 11
fsp3 0.45
Lipinski(0=no;1=yes) 0

FDA
NDA 208462 (label) INN (IXAZOMIB CITRATE) NINLARO (TAKEDA PHARMS USA) APPROVAL= AP YEAR= 2015 NEWMOLECULARENTITY

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

1820

IXAZOMIB

INN
IXAZOMIB

(is an active metabolite)

cas 1072833-77-2

CLASS

ANTINEOPLASTIC
TREATMENT OF MULTIPLE MYELOMA
PROTEASOME INHIBITOR
PRODRUG OF IXAZOMIB
CHYMOTRYPSIN-LIKE ACTIVITY OF THE BETA 5 SUBUNIT OF THE 20S PROTEASOME

ROUTE (list)

ATC code

L01XG03

PK parameters

F 58 PERCENT
Tmax 1 HOUR
VD 543 LITER
Cl 1.9 LITER / HOUR
PPB 99 PERCENT
t1/2 228 HOUR

Target

TARGET 20S PROTEASOME

PDB
5LF7 (HUMAN 20S PROTEASOME COMPLEX WITH IXAZOMIB AT 2.0 ANGSTROM)

Ligand code = 6V8 (link to the list of PDB complexes)

Download experimental 3D coordinates of 6V8 with added hydrogens

DrugCentral

Proteasome subunit beta type-5 UNIPROT P28074 PSMB5

Download SDF file

Boronic acid, B-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-

Formula:
C14H19BCl2N2O4

Calculated chemical properties:

MW 361.02
NB_atoms 23
XLogP 1.27
PSA 95.21
NB_HD 4
NB_HA 6
fsp3 0.43
Lipinski(0=no;1=yes) 1

FDA
-