ixazomib

Ligand id: 8450

Name: ixazomib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 98.66
Molecular weight 360.08
XLogP 2.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2015))
IUPAC Name
[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
International Nonproprietary Names
INN number INN
9411 ixazomib
Synonyms
MLN-2238 | MLN2238 | Ninlaro®
Database Links
CAS Registry No. 1072833-77-2
ChEMBL Ligand CHEMBL2141296
GtoPdb PubChem SID 252166660
PubChem CID 25183872
RCSB PDB Ligand 6V8
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Comments
Ixazomib is the first approved oral proteasome inhibitor. Ixazomib reversibly inhibits 20S proteasome activity. Like bortezomib, ixazomib primarily inhibits the chymotrypsin-like (β5) proteolytic site within the 20S proteasome, but its pharmacokinetics, pharmacodynamics, and antitumor activity are superior to those of bortezomib [3].