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Compound Detail

CHEMBL2141296

IXAZOMIB
🧪 Phase III
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🧪 Phase III
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2141296
Name IXAZOMIB
Phase Phase III
Structure Type MOL
InChI Key MXAYKZJJDUDWDS-LBPRGKRZSA-N
Therapeutic ✓ Yes

Known Names

Ixazomib MLN-2238 MLN-9708 FREE BASE MLN2238
14
Targets
28
Activities
2
Assay Types
1
PK Parameters
20
Publications
4
Known Names
20
Indications
1
Mechanisms

Molecular Properties

361.0
MW (Da)

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -zomib
USAN Year 2011

Extended Properties

Molecular Formula C14H19BCl2N2O4
MW 361.03

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
26S proteasome inhibitor INHIBITOR 26S proteasome ✓ ✓

Indications

Neoplasms Neoplasms Amyloidosis, Familial Multiple Myeloma Plasmacytoma Anemia, Hemolytic, Autoimmune Hematologic Neoplasms Leukemia Lymphoma, Follicular Lymphoma, Mantle-Cell Purpura, Thrombocytopenic, Idiopathic Renal Insufficiency, Chronic Waldenstrom Macroglobulinemia Carcinoma, Renal Cell HIV Infections Leukemia, Myeloid, Acute Lupus Nephritis Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma

ATC Classification

L01XG03
ixazomib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 27 meas. best 8.54
EC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome Macropain subunit MB1
CHEMBL4662
 IC50 8.54 8.3757 2.9 7
Proteasome component C5
CHEMBL4208
 IC50 8.52 7.8467 3.0 3
Proteasome
CHEMBL612443
 IC50 8.3 8.3 5.0 1
Nuclear factor NF-kappa-B complex
CHEMBL2094258
 IC50 8.21 8.21 6.2 1
20S proteasome
CHEMBL3831201
 IC50 8.19 7.8767 6.5 3
RPMI-8226
CHEMBL614882
 IC50 8.13 7.695 7.4 2
Proteasome Macropain subunit
CHEMBL3492
 IC50 7.52 6.1467 30.0 3
MDA-MB-231
CHEMBL400
 IC50 7.37 7.37 42.6 1
U-266
CHEMBL2366315
 IC50 7.28 7.28 52.1 1
ARH-77
CHEMBL2366241
 IC50 7.18 7.18 65.5 1
MCF7
CHEMBL387
 IC50 6.87 6.87 135.2 1
NACHT, LRR and PYD domains-containing protein 3
CHEMBL3779755
 IC50 6.7 6.7 199.5 1
BT-549
CHEMBL614072
 IC50 6.64 6.64 227.3 1
ATP-dependent Clp protease proteolytic subunit
CHEMBL1932910
 EC50 5.44 5.44 3600.0 1
ATP-dependent Clp protease proteolytic subunit
CHEMBL1932910
 IC50 5.28 5.28 5300.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 27.8 % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proteasome Macropain subunit MB1 IC50 = 2.884 nM 8.54 Inhibition of 20S proteasome beta5 subunit (unknown origin) using Suc-LLVY-AMC a... 36063115
Proteasome Macropain subunit MB1 IC50 = 3.0 nM 8.52 Inhibition of 20S proteasome beta5 subunit in human erythrocytes using Ac-WLA-AM... -
Proteasome component C5 IC50 = 3.0 nM 8.52 Inhibition of 20S proteasome beta 1c (unknown origin) after 1 hr by fluorescence... 31521028
Proteasome Macropain subunit MB1 IC50 = 3.4 nM 8.47 Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta5 ... 22978849
Proteasome Macropain subunit MB1 IC50 = 3.4 nM 8.47 Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by fluorescence... 31521028
Proteasome Macropain subunit MB1 IC50 = 3.4 nM 8.47 Inhibition of beta5 proteasome (unknown origin) 33656892
Proteasome IC50 = 5.0 nM 8.3 Inhibition of proteasome (unknown origin) 34974338
Nuclear factor NF-kappa-B complex IC50 = 6.2 nM 8.21 Inhibition of NFkappaB in HEK293 cells incubated for 1 hr prior to TNF-alpha cha... -
20S proteasome IC50 = 6.5 nM 8.19 Inhibition of human 20S proteasome chymotrypsin-like activity using Suc-Leu-Leu-... 36806958
RPMI-8226 IC50 = 7.4 nM 8.13 Cytotoxicity against human RPMI-8226 cells assessed as inhibition of cell prolif... 36806958
Proteasome Macropain subunit MB1 IC50 = 7.73 nM 8.11 Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-L... 29934218
Proteasome Macropain subunit MB1 IC50 = 9.0 nM 8.05 Inhibition of 26S proteasome beta5 subunit in human Calu6 cells using Suc-LLVY-a... -
20S proteasome IC50 = 15.0 nM 7.82 Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured ever... 31801019
20S proteasome IC50 = 24.2 nM 7.62 Inhibition of 20S proteasome (unknown origin) using Suv-LLVY-AMC as substrate 38039793
Proteasome Macropain subunit IC50 = 30.0 nM 7.52 Inhibition of 20S proteasome beta 2c (unknown origin) after 1 hr by fluorescence... 31521028
Proteasome component C5 IC50 = 31.0 nM 7.51 Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 ... 22978849
Proteasome component C5 IC50 = 31.0 nM 7.51 Inhibition of beta 1 proteasome (unknown origin) 33656892
MDA-MB-231 IC50 = 42.6 nM 7.37 Cytotoxicity against human MDA-MB-231 cells assessed as inhibition of cell growt... 38039793
U-266 IC50 = 52.15 nM 7.28 Cytotoxicity against human U266B1 cells assessed as reduction in cell viability ... 29934218
RPMI-8226 IC50 = 55.32 nM 7.26 Cytotoxicity against human RPMI8226 cells assessed as reduction in cell viabilit... 29934218

Literature References

PubMed DOI Target Context # Activities
36806958 10.1016/j.ejmech.2023.115187 ADMET 12
- 10.6019/CHEMBL4495565 SARS-CoV-2 6
32031798 10.1021/acs.jmedchem.9b01746 ATP-dependent Clp protease proteolytic subunit 4
38039793 10.1016/j.ejmech.2023.115943 BT-549 3
36806958 10.1016/j.ejmech.2023.115187 RPMI-8226 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.1039/C2MD20060K Proteasome Macropain subunit MB1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 Vero C1008 2
- 10.6019/CHEMBL4495565 ADMET 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
36063115 10.1021/acs.jmedchem.2c00523 NACHT, LRR and PYD domains-containing protein 3 2
29934218 10.1016/j.bmc.2018.06.020 Rattus norvegicus 1
38039793 10.1016/j.ejmech.2023.115943 MDA-MB-231 1
29934218 10.1016/j.bmc.2018.06.020 U-266 1
29934218 10.1016/j.bmc.2018.06.020 ARH-77 1
- 10.1039/C2MD20060K Proteasome Macropain subunit 1

Data from ChEMBL 36 via Core Engine