Apixaban (CED0002075)

Record Information
Version1.0
Creation Date2026-04-03 00:09:14 UTC
Update Date2026-08-22 05:01:08 UTC
Accession NumberCHEM059279
Identification
Common NameApixaban
ClassSmall Molecule
Description
Apixaban is an organic compound with the formula C25H25N5O4 and an average molecular weight of 459.51 g/mol. Apixaban belongs to the phenylpiperidines, a subclass of piperidines within the organic compounds. It is classified as an organoheterocyclic compound. This substance acts as an inhibitor of Coagulation factor X (F10). The compound is found in or released from two recorded sources: amplifiers within electrical and electronic equipment, and antithrombotic agents within healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure is oral. Regarding health effects, apixaban is used as a treatment for thrombosis (PMC9387011) and has a therapeutic effect on ischemic stroke (PMC12299637).
Contaminant Type
  • Human Neurotoxin
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC25H25N5O4
Average Molecular Mass459.506 g/mol
Monoisotopic Mass459.191 g/mol
CAS Registry Number503612-47-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O
InChI IdentifierInChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
InChI KeyQNZCBYKSOIHPEH-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 GC-MSPredicted GC-MS Spectrumsplash10-000f-3034900000-c6573a0ef5ca4ab8342fNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0210900000-941cd1e773f20ff3a0d7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000900000-9fabaa54d151d557dd9eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-044l-0313900000-ad652913a9fdb069460aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0229-3809000000-7d5338c746b894257a42Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0000900000-022c66002cc83b063a7eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0674-1013900000-d663c5a4562d6c5ca8fcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kf-9255300000-fb54a5a0c896e7e96551Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000900000-551ef2155a6a75c43698Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000900000-3028ec8086dc0de2d963Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01u3-0129500000-b297d67fbbfecfa4fc42Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-066r-0000900000-c7d87ae5caa3bebbd2baNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0001900000-9f819092f0b68f39d425Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0106900000-151ef4291714b2bcf1edNot 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
1860.0Log mg/kg[1000:3300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
ischemic strokehas_therapeutic_effect_onNot AvailablePMC12299637
thrombosisis_treatment_forNot AvailablePMC9387011
patent foramen ovaleis_treatment_forNot AvailablePMC12516258
Exposure Sources
Source IDSourceSectorReference
273Antithrombotic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
Pathways
2 pathways
Apixaban Action Pathway (new)
Apixaban Action Pathway (new)
Apixaban Drug Metabolism Action Pathway
Apixaban Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)22.3427
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)33.553
Click to view 3D structureCoagulation factor XO19045Oryctolagus cuniculusPredicted (SEA)5.0602
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)21.4085
Click to view 3D structureCoagulation factor XQ63207Rattus norvegicusPredicted (SEA)0.0778492
Serine/threonine-protein kinase PLK1 structureClick to view 3D structureSerine/threonine-protein kinase PLK1P53350HumansPredicted (SEA)1022.08
Serine/threonine-protein kinase PLK3 structureClick to view 3D structureSerine/threonine-protein kinase PLK3Q9H4B4HumansPredicted (SEA)851.593
Serine/threonine-protein kinase PLK2 structureClick to view 3D structureSerine/threonine-protein kinase PLK2Q9NYY3HumansPredicted (SEA)199.917
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)225.763
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)1445.43
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)1106.94
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)987.128
Sentrin-specific protease 8 structureClick to view 3D structureSentrin-specific protease 8Q96LD8HumansPredicted (SEA)49.7457
Inhibitor of nuclear factor kappa-B kinase subunit beta structureClick to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit betaO14920HumansPredicted (SEA)750.311
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)71.1542
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)453.939
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)2268.21
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)1626.04
5-hydroxytryptamine receptor 1D structureClick to view 3D structure5-hydroxytryptamine receptor 1DP28221HumansPredicted (SEA)647.316
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)595.313
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)2603.75
Click to view 3D structureSuperoxide dismutaseQ4DCQ3Trypanosoma cruzi (strain CL Brener)Predicted (SEA)86.5683
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)1881.15
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)415.793
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)995.38
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available