Mobocertinib (CED0009776)

Record Information
Version1.0
Creation Date2026-04-14 20:46:37 UTC
Update Date2026-08-22 10:56:47 UTC
Accession NumberCHEM133832
Identification
Common NameMobocertinib
ClassSmall Molecule
Description
Mobocertinib is an organic compound with the chemical formula C32H39N7O4. Mobocertinib belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 585.71 g/mol, Mobocertinib is a heavy molecule. In terms of biological activity, it functions as an inhibitor of the Epidermal growth factor receptor (EGFR). The compound is found in or released from two recorded sources: antennas in electrical and electronic equipment, and antineoplastic agents in healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC32H39N7O4
Average Molecular Mass585.709 g/mol
Monoisotopic Mass585.306 g/mol
CAS Registry Number1847461-43-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C
InChI IdentifierInChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)
InChI KeyAZSRSNUQCUDCGG-UHFFFAOYSA-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 RolesNot Available
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 LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001u-0000290000-2db6c84af07fb63761e1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-008c-1000930000-110cd4a9d63b66a1cf29Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fr-3000900000-2197d90690ed75286218Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0000190000-069ebc84d2eeeb2d8d19Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ss-0000940000-b4f277f6fc650c3156d0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-005a-0000930000-eb48b8650c08bc91f762Not 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
Exposure Sources
Source IDSourceSectorReference
358Antineoplastic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
506AntennasElectrical & Electronic EquipmentNot Available
Pathways
1 pathway
Mobocertinib Drug Metabolism Action Pathway
Mobocertinib Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)621.782
Click to view 3D structureCysteine--tRNA ligase, cytoplasmicP49589HumansPredicted (SEA)0.778492
Tyrosine-protein kinase Fer structureClick to view 3D structureTyrosine-protein kinase FerP16591HumansPredicted (SEA)299.019
STE20-like serine/threonine-protein kinase structureClick to view 3D structureSTE20-like serine/threonine-protein kinaseQ9H2G2HumansPredicted (SEA)336.309
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)19.6959
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)14.48
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)44.0627
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)89.2152
Insulin receptor structureClick to view 3D structureInsulin receptorP06213HumansPredicted (SEA)62.5908
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)84.7778
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)136.625
Activated CDC42 kinase 1 structureClick to view 3D structureActivated CDC42 kinase 1Q07912HumansPredicted (SEA)51.8476
Focal adhesion kinase 1 structureClick to view 3D structureFocal adhesion kinase 1Q05397HumansPredicted (SEA)130.475
Tyrosine-protein kinase Tec structureClick to view 3D structureTyrosine-protein kinase TecP42680HumansPredicted (SEA)67.9624
Click to view 3D structureTyrosine-protein kinase BlkP51451HumansPredicted (SEA)185.125
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)232.146
Receptor tyrosine-protein kinase erbB-3 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-3P21860HumansPredicted (SEA)38.224
Receptor tyrosine-protein kinase erbB-4 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-4Q15303HumansPredicted (SEA)228.254
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)292.791
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma structureClick to view 3D structurePhosphatidylinositol 5-phosphate 4-kinase type-2 gammaQ8TBX8HumansPredicted (SEA)57.4527
Proto-oncogene tyrosine-protein kinase ROS structureClick to view 3D structureProto-oncogene tyrosine-protein kinase ROSP08922HumansPredicted (SEA)209.259
Tyrosine-protein kinase ITK/TSK structureClick to view 3D structureTyrosine-protein kinase ITK/TSKQ08881HumansPredicted (SEA)329.614
Click to view 3D structureEpidermal growth factor receptorQ01279Mus musculusPredicted (SEA)31.2175
Tyrosine-protein kinase JAK1 structureClick to view 3D structureTyrosine-protein kinase JAK1P23458HumansPredicted (SEA)276.988
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)539.884
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available