Edoxaban (CED0003030)

Record Information
Version1.0
Creation Date2026-04-04 18:11:27 UTC
Update Date2026-08-22 03:47:59 UTC
Accession NumberCHEM077358
Identification
Common NameEdoxaban
ClassSmall Molecule
Description
Edoxaban (C24H30Cl1N7O4S1) is an organic compound used as an antithrombotic agent. Edoxaban 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 548.06 g/mol, Edoxaban is a heavy molecule. The compound is administered via oral exposure and acts as an inhibitor of coagulation factor X (F10). In a clinical context, Edoxaban is utilized as a treatment for thrombosis (PMC8520343). Additionally, it has a therapeutic effect on ischemic stroke (PMC12299637).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC24H30Cl1N7O4S1
Average Molecular Mass548.060 g/mol
Monoisotopic Mass547.177 g/mol
CAS Registry Number480449-70-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C1=NC2=C(CN(C)CC2)S1
InChI IdentifierInChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)
InChI KeyHGVDHZBSSITLCT-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 Spectrumsplash10-0007-2528090000-6a6c9e3e317c4a8b3f6fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9544020000-705c6fe62f4a4596ad3fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9401010000-4d4bc029fbdbabf16722Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0100090000-0aec92e0768e28bf3b67Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000t-0704290000-aef6938174a518693c9fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-2900000000-a462cd7a2d6cc09149d3Not AvailableView Spectrum
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
2993.0Log mg/kg[1700:5300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
ischemic strokehas_therapeutic_effect_onNot AvailablePMC12299637
thrombosisis_treatment_forNot AvailablePMC8520343
Exposure Sources
Source IDSourceSectorReference
273Antithrombotic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
Pathways
1 pathway
Edoxaban Predicted Metabolism Pathway
Edoxaban Predicted Metabolism Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)55.3508
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)88.1253
Click to view 3D structureCoagulation factor XO19045Oryctolagus cuniculusPredicted (SEA)16.504
Click to view 3D structureCoagulation factor XQ63207Rattus norvegicusPredicted (SEA)0.856341
Click to view 3D structureFatty acid synthaseP19096Mus musculusPredicted (SEA)19.618
Coagulation factor VII structureClick to view 3D structureCoagulation factor VIIP08709HumansPredicted (SEA)174.227
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)3960.89
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)3419.76
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)3090.54
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)3671.6
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)2608.88
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)3434.71
5-hydroxytryptamine receptor 1D structureClick to view 3D structure5-hydroxytryptamine receptor 1DP28221HumansPredicted (SEA)1599.8
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)3917.14
5-hydroxytryptamine receptor 1F structureClick to view 3D structure5-hydroxytryptamine receptor 1FP30939HumansPredicted (SEA)292.168
Coagulation factor IX structureClick to view 3D structureCoagulation factor IXP00740HumansPredicted (SEA)137.248
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)3919.01
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)3454.4
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)3444.13
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)3794.14
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)3048.89
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)5082.15
Tyrosine-protein kinase HCK structureClick to view 3D structureTyrosine-protein kinase HCKP08631HumansPredicted (SEA)1787.5
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)4136.91
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)4537.52
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available