Londamocitinib (CED0040796)

Record Information
Version1.0
Creation Date2026-04-15 16:35:11 UTC
Update Date2026-08-22 08:23:15 UTC
Accession NumberCHEM136388
Identification
Common NameLondamocitinib
ClassSmall Molecule
Description
Londamocitinib is an organic compound with the chemical formula C28H31F2N7O4S. Londamocitinib belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 599.66 g/mol, Londamocitinib is a heavy molecule. This compound acts as an inhibitor of three protein targets: Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3. Regarding its environmental presence, Londamocitinib is found in or released from two recorded sources, specifically electrical and electronic equipment including antennas, superconducting magnets, and superconducting coils.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC28H31F2N7O4S
Average Molecular Mass599.660 g/mol
Monoisotopic Mass599.213 g/mol
CAS Registry Number2241039-81-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC[C@@H](N1CCN(C)CC1)C(=O)NC1=C2NC=C(C2=CC=C1)C1=NC(NC2=CC=CC(=C2F)S(C)(=O)=O)=NC=C1F
InChI IdentifierInChI=1S/C28H31F2N7O4S/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35)/t22-/m1/s1
InChI KeyJNUZADQZHYFJGW-JOCHJYFZSA-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
2481.0Log mg/kg[1400:4400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
620Card GamesRecreation & sports surfacesNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Tyrosine-protein kinase JAK1 structureClick to view 3D structureTyrosine-protein kinase JAK1P23458HumansPredicted (SEA)274.963
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)796.008
Click to view 3D structureInsulin receptorP15127Rattus norvegicusPredicted (SEA)27.7143
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)651.52
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)821.154
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)1095.73
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)1125.93
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)857.431
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)987.284
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)1149.68
Insulin receptor structureClick to view 3D structureInsulin receptorP06213HumansPredicted (SEA)919.244
Proto-oncogene tyrosine-protein kinase ROS structureClick to view 3D structureProto-oncogene tyrosine-protein kinase ROSP08922HumansPredicted (SEA)633.148
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)1125.7
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)1263.8
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)1212.66
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)1582.36
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)1185.33
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)1421.06
Tyrosine-protein kinase receptor UFO structureClick to view 3D structureTyrosine-protein kinase receptor UFOP30530HumansPredicted (SEA)702.044
Focal adhesion kinase 1 structureClick to view 3D structureFocal adhesion kinase 1Q05397HumansPredicted (SEA)921.657
Tyrosine-protein kinase Fes/Fps structureClick to view 3D structureTyrosine-protein kinase Fes/FpsP07332HumansPredicted (SEA)656.658
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)1338.07
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)1102.58
Activated CDC42 kinase 1 structureClick to view 3D structureActivated CDC42 kinase 1Q07912HumansPredicted (SEA)642.49
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)1100.01
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available