Ixazomib (CED0004602)

Record Information
Version1.0
Creation Date2026-04-14 17:47:28 UTC
Update Date2026-08-19 06:33:18 UTC
Accession NumberCHEM130452
Identification
Common NameIxazomib
ClassSmall Molecule
Description
Ixazomib is an organic compound with the formula C14H19BCl2N2O4 and an average molecular weight of 361.03 g/mol. Ixazomib belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Functioning as a biological proteasome inhibitor (PMC10344838, PMC10351539, PMC6223128, PMC7532106, PMC8786921, PMC9387011), it acts as an inhibitor of Proteasome subunit beta type-5 (PSMB5). This compound is found in healthcare, pharmaceuticals, and veterinary products as an antineoplastic agent and is administered via the oral exposure route. Ixazomib is used in the treatment of cancer (PMC10351539), lymphoma (PMC7532106), and multiple myeloma (PMC10351539, PMC12014722, PMC4559079, PMC6223128, PMC7474576, PMC8678348, PMC8713771, PMC9387011). Use of the compound is associated with several health effects, including neutropenia (PMC4559079), thrombocytopenia (PMC10351539, PMC4559079, PMC7532106, PMC8786921), fever (PMC4559079), bleeding (PMC4559079), fatigue (PMC10351539, PMC4559079), and pain (PMC4559079). Additional associated effects include nausea (PMC10351539, PMC7532106), vomiting (PMC10351539, PMC7532106), pneumonia (PMC12014722), gastroenteritis (PMC12014722), diarrhea (PMC7598776), heart failure (PMC10351539), rash (PMC10351539), and itching (PMC10351539).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H19BCl2N2O4
Average Molecular Mass361.030 g/mol
Monoisotopic Mass360.081 g/mol
CAS Registry Number1072833-77-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)C[C@H](NC(=O)CNC(=O)C1=CC(Cl)=CC=C1Cl)B(O)O
InChI IdentifierInChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChI KeyMXAYKZJJDUDWDS-LBPRGKRZSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-006t-9513000000-a60e06b004f3a32d02e7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gx0-0965000000-3c224ff5108d5e08f5e6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0j59-1930000000-8f3e5b9f6e7ed2b4b824Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ab9-9810000000-99446186b0fbe50f8207Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-3449000000-1d3725e531268219b98aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052o-8896000000-901f6ae01729ee036b8aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9620000000-7a622707a50decfb1248Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
canceris_treatment_forNot AvailablePMC10351539
fatigueassociated_withNot AvailablePMC10351539 , PMC4559079
multiple myelomais_treatment_forNot AvailablePMC10351539 , PMC12014722 , PMC12014722 , PMC4559079 , PMC6223128 , PMC7474576 , PMC8678348 , PMC8713771 , PMC9387011
diarrheaassociated_withNot AvailablePMC7598776
neutropeniaassociated_withNot AvailablePMC4559079 , PMC4559079
thrombocytopeniaassociated_withNot AvailablePMC10351539 , PMC4559079 , PMC4559079 , PMC7532106 , PMC8786921
feverassociated_withNot AvailablePMC4559079
bleedingassociated_withNot AvailablePMC4559079
painassociated_withNot AvailablePMC4559079
gastroenteritisassociated_withNot AvailablePMC12014722
lymphomais_treatment_forNot AvailablePMC7532106
nauseaassociated_withNot AvailablePMC10351539 , PMC10351539 , PMC7532106
vomitingassociated_withNot AvailablePMC10351539 , PMC10351539 , PMC7532106
heart failureassociated_withNot AvailablePMC10351539
rashassociated_withNot AvailablePMC10351539
pneumoniaassociated_withNot AvailablePMC12014722
itchingassociated_withNot AvailablePMC10351539
erythema multiformeassociated_withNot AvailablePMC7532106
Exposure Sources
Source IDSourceSectorReference
358Antineoplastic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Ixazomib Drug Metabolism Action Pathway
Ixazomib Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Proteasome subunit beta type-5 structureClick to view 3D structureProteasome subunit beta type-5P28074HumansPredicted (SEA)0.544945
Proteasome subunit beta type-1 structureClick to view 3D structureProteasome subunit beta type-1P20618HumansPredicted (SEA)0.233548
Click to view 3D structureNACHT, LRR and PYD domains-containing protein 3Q8R4B8Mus musculusPredicted (SEA)0.155698
Proteasome subunit beta type-2 structureClick to view 3D structureProteasome subunit beta type-2P49721HumansPredicted (SEA)2.72472
Click to view 3D structureATP-dependent Clp protease proteolytic subunitQ2G036Staphylococcus aureus (strain NCTC 8325)Predicted (SEA)0.0778492
Proteasome subunit beta type-8 structureClick to view 3D structureProteasome subunit beta type-8P28062HumansPredicted (SEA)4.7488
Proteasome subunit beta type-9 structureClick to view 3D structureProteasome subunit beta type-9P28065HumansPredicted (SEA)1.94623
Proteasome subunit beta type-10 structureClick to view 3D structureProteasome subunit beta type-10P40306HumansPredicted (SEA)6.69503
Proteasome subunit beta type-6 structureClick to view 3D structureProteasome subunit beta type-6P28072HumansPredicted (SEA)0.389246
Proenkephalin-B structureClick to view 3D structureProenkephalin-BP01213HumansPredicted (SEA)111.558
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)516.919
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)2045.96
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)1596.53
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)2268.06
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)506.643
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)449.19
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)539.184
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)411.9
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)341.447
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)713.177
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)379.982
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)257.525
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)483.599
Click to view 3D structureTransmembrane protease serine 4Q9NRS4HumansPredicted (SEA)31.4511
TGF-beta receptor type-1 structureClick to view 3D structureTGF-beta receptor type-1P36897HumansPredicted (SEA)488.582
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available