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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Administered as ixazomib citrate (MLN9708, PubChem CID 56844015) which is rapidly hydrolysed to its biologically active boronic acid form (ixazomib, MLN2238). Preclinical studies have demonstrated antitumor activity in MM cell lines and xenograft models [4].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
proteasome subunit beta 5 Hs Inhibitor Inhibition 9.0 pKi - 3
pKi 9.0 (Ki 9.3x10-10 M) [3]