Fenebrutinib (CED0011360)

Record Information
Version1.0
Creation Date2026-04-14 19:55:53 UTC
Update Date2026-08-22 12:03:19 UTC
Accession NumberCHEM132518
Identification
Common NameFenebrutinib
ClassSmall Molecule
Description
Fenebrutinib is an organic compound with the chemical formula C37H44N8O4. Fenebrutinib belongs to the piperazines, a subclass of diazinanes within the organic compounds. With an average molecular weight of 664.81 g/mol, Fenebrutinib is a heavy molecule. In terms of biological activity, it is recorded as an inhibitor of the protein target Tyrosine-protein kinase BTK. The compound has been identified in or released from 14 recorded sources across various sectors. Within electrical and electronic equipment, it is found in amplifiers, antennas, contacts, relays, line transmission systems, and two additional sources. In the building and construction sector, it is associated with fencing, ladders, stairs and ramps, tents or canopies, and sunshades awnings or outside screens. Additionally, it is found in household cleaning and consumer products specifically in pipe accessories, as well as in food processing and cookware, where it is recorded in brew kettles.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC37H44N8O4
Average Molecular Mass664.811 g/mol
Monoisotopic Mass664.349 g/mol
CAS Registry Number1434048-34-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESC[C@H]1CN(CCN1C1=CC=C(NC2=CC(=CN(C)C2=O)C2=C(CO)C(=NC=C2)N2CCN3C4=C(CC(C)(C)C4)C=C3C2=O)N=C1)C1COC1
InChI IdentifierInChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1
InChI KeyWNEODWDFDXWOLU-QHCPKHFHSA-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
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
276.0Log mg/kg[160:490]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
496FencingBuilding & ConstructionNot Available
498LaddersBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
502Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
512ContactsElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
540X Ray TubesElectrical & Electronic EquipmentNot Available
542Brew KettlesFood, food processing & cookwareNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)59.399
Cytoplasmic tyrosine-protein kinase BMX structureClick to view 3D structureCytoplasmic tyrosine-protein kinase BMXP51813HumansPredicted (SEA)60.0996
Tyrosine-protein kinase Tec structureClick to view 3D structureTyrosine-protein kinase TecP42680HumansPredicted (SEA)59.399
Tyrosine-protein kinase ITK/TSK structureClick to view 3D structureTyrosine-protein kinase ITK/TSKQ08881HumansPredicted (SEA)165.274
Click to view 3D structureTyrosine-protein kinase BlkP51451HumansPredicted (SEA)198.438
Tyrosine-protein kinase TXK structureClick to view 3D structureTyrosine-protein kinase TXKP42681HumansPredicted (SEA)82.9873
Early activation antigen CD69 structureClick to view 3D structureEarly activation antigen CD69Q07108HumansPredicted (SEA)2.10193
Protein cereblon structureClick to view 3D structureProtein cereblonQ96SW2HumansPredicted (SEA)13.1565
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)3322.29
Click to view 3D structureInositol-trisphosphate 3-kinase BP27987HumansPredicted (SEA)25.0674
Tyrosine-protein kinase Yes structureClick to view 3D structureTyrosine-protein kinase YesP07947HumansPredicted (SEA)1947.94
STE20-like serine/threonine-protein kinase structureClick to view 3D structureSTE20-like serine/threonine-protein kinaseQ9H2G2HumansPredicted (SEA)3925.78
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)6588.77
Tyrosine-protein kinase Fgr structureClick to view 3D structureTyrosine-protein kinase FgrP09769HumansPredicted (SEA)1959.54
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)5348.55
Macrophage colony-stimulating factor 1 receptor structureClick to view 3D structureMacrophage colony-stimulating factor 1 receptorP07333HumansPredicted (SEA)5199.78
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)5555.4
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)5693.97
Click to view 3D structureCD63 antigenP08962HumansPredicted (SEA)36.122
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)5627.41
Tyrosine-protein kinase SYK structureClick to view 3D structureTyrosine-protein kinase SYKP43405HumansPredicted (SEA)4915.24
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)6546.89
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)6759.34
Click to view 3D structureTyrosine-protein kinase BTKP35991Mus musculusPredicted (SEA)46.3981
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)5965.12
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available