Molecule Details
InChIKeyMXAYKZJJDUDWDS-LBPRGKRZSA-N
Compound NameIxazomib
Canonical SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)22
Pfam Stratification Cross-Family
Avg pChEMBL7.9
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB09570
Drug NameIxazomib
CAS Number1072833-77-2
Groups approved investigational
ATC Codes L01XG03
DescriptionIxazomib is a reversible proteasome inhibitor. Because it is a modified peptide boronic acid with one chiral center,[A264329] it is considered a boronate proteasome inhibitor.[A7948] More than 99% of the drug compound is the R-enantiomer.[A264329] Ixazomib was approved by the FDA on November 20, 201...

Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Narrow Therapeutic Index Drugs P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Proteasome Inhibitors
Cross-references: BindingDB: 50398609 ChEBI: 90942 CHEMBL2141296 ChemSpider: 25027391 Drugs Product Database (DPD): 22810 D10130 PDB: 6V8 PubChem:25183872 PubChem:310265228 RxCUI: 1723735 Wikipedia: Ixazomib ZINC: ZINC000169946773
Target Activities (22)
Target Gene Organism Category Pfam pChEMBL Type Source
P28074 PSMB5 Homo sapiens Human PF00227 8.5 IC50 ChEMBL;BindingDB
P19838 NFKB1 Homo sapiens Human PF12796 PF00531 PF16179 PF00554 8.2 IC50 ChEMBL
Q00653 NFKB2 Homo sapiens Human PF00023 PF12796 PF00531 PF16179 PF00554 8.2 IC50 ChEMBL
Q04206 RELA Homo sapiens Human PF16179 PF00554 8.2 IC50 ChEMBL
P28062 PSMB8 Homo sapiens Human PF00227 8.0 IC50 ChEMBL
P28065 PSMB9 Homo sapiens Human PF00227 8.0 IC50 ChEMBL
A5LHX3 PSMB11 Homo sapiens Human PF00227 7.8 IC50 ChEMBL
O14818 PSMA7 Homo sapiens Human PF00227 PF10584 7.8 IC50 ChEMBL
P25786 PSMA1 Homo sapiens Human PF00227 PF10584 7.8 IC50 ChEMBL
P25787 PSMA2 Homo sapiens Human PF00227 PF10584 7.8 IC50 ChEMBL
P25788 PSMA3 Homo sapiens Human PF00227 PF10584 7.8 IC50 ChEMBL
P25789 PSMA4 Homo sapiens Human PF00227 PF10584 7.8 IC50 ChEMBL
P28066 PSMA5 Homo sapiens Human PF00227 PF10584 7.8 IC50 ChEMBL
P28070 PSMB4 Homo sapiens Human PF00227 7.8 IC50 ChEMBL
P40306 PSMB10 Homo sapiens Human PF12465 PF00227 7.8 IC50 ChEMBL
P49720 PSMB3 Homo sapiens Human PF00227 7.8 IC50 ChEMBL
P60900 PSMA6 Homo sapiens Human PF00227 PF10584 7.8 IC50 ChEMBL
Q8TAA3 PSMA8 Homo sapiens Human PF00227 PF10584 7.8 IC50 ChEMBL
Q99436 PSMB7 Homo sapiens Human PF12465 PF00227 7.8 IC50 ChEMBL
P28072 PSMB6 Homo sapiens Human PF00227 7.7 IC50 ChEMBL
P20618 PSMB1 Homo sapiens Human PF00227 7.6 IC50 ChEMBL;BindingDB
P49721 PSMB2 Homo sapiens Human PF00227 7.6 IC50 ChEMBL;BindingDB
DrugBank Target Actions (9)
Target Gene Target Name Action Type
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10632 CYP2C8 Cytochrome P450 2C8 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P28074 PSMB5 Proteasome subunit beta type-5 inhibitor targets
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters