Molecule Details
| InChIKey | MXAYKZJJDUDWDS-LBPRGKRZSA-N |
|---|---|
| Compound Name | Ixazomib |
| Canonical SMILES | CC(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 pChEMBL | 7.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09570 |
|---|---|
| Drug Name | Ixazomib |
| CAS Number | 1072833-77-2 |
| Groups | approved investigational |
| ATC Codes | L01XG03 |
| Description | Ixazomib 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 |