Enzalutamide (CED0002351)

Record Information
Version1.0
Creation Date2026-04-04 18:11:41 UTC
Update Date2026-08-21 17:48:08 UTC
Accession NumberCHEM077363
Identification
Common NameEnzalutamide
ClassSmall Molecule
Description
Enzalutamide is an organic compound with the formula C21H16F4N4O2S1 and an average molecular weight of 464.44 g/mol. Enzalutamide belongs to the imidazolidines, a subclass of azolidines within the organic compounds. It is categorized as an organoheterocyclic compound. The substance acts as an inhibitor of the androgen receptor (AR). Enzalutamide is used as a treatment for prostate cancer (PMC10313599, PMC7728060, PMC8855934). It has been released from two recorded sources: electric hearing aids (Electrical & Electronic Equipment) and hormone antagonists and related agents (Healthcare, pharmaceuticals & veterinary products). The recorded exposure route for this compound is oral. Associated health effects include hypertension (PMC9869701), fatigue (PMC9869701), and cognitive impairment (PMC9869701).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H16F4N4O2S1
Average Molecular Mass464.437 g/mol
Monoisotopic Mass464.093 g/mol
CAS Registry Number915087-33-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC(=C(C=C1)C#N)C(F)(F)F
InChI IdentifierInChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
InChI KeyWXCXUHSOUPDCQV-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 Spectrumsplash10-0002-0350900000-8484b0abe5fb0342e100Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0321900000-b1c610c4a717fdea030eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0010900000-4f838263aacc4b6bb7ceNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014r-0241900000-5c5bc191919df9a72ee0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0900-2980100000-8f3ce65381e81ca00bf6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000900000-2663e7012422aa33b260Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-2012900000-26bc157ce03871b96c2eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-054p-6390000000-01dc7bdcf0f71969d3c8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0000900000-bdcd2a87f39216b3fef9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0011900000-1c5b2918dbe7fd51e771Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05dv-5698400000-9dbe2cfabb323bd5701bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000900000-1aa05f440250f42b4bafNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0nmu-0031900000-0558b7d179780a890b2cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-002r-0595300000-6735eafbfafb420728eaNot 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
2515.0Log mg/kg[1400:4500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
hypertensionassociated_withNot AvailablePMC9869701
fatigueassociated_withNot AvailablePMC9869701 , PMC9869701
Prostate canceris_treatment_forNot AvailablePMC10313599 , PMC7728060 , PMC8855934
cognitive impairmentassociated_withNot AvailablePMC9869701
Exposure Sources
Source IDSourceSectorReference
360Hormone antagonists and related agentsHealthcare, pharmaceuticals & veterinary productsNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
Pathways
2 pathways
Enzalutamide Drug Metabolism
Enzalutamide Drug Metabolism
Enzalutamide Drug Metabolism Action Pathway
Enzalutamide Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)0.0778492
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)16.8933
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)8.79696
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)5.68299
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)39.3139
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)79.3284
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)701.733
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)71.0763
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)589.085
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)1924.35
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)2448.59
Prostate-specific antigen structureClick to view 3D structureProstate-specific antigenP07288HumansPredicted (SEA)0.233548
Click to view 3D structureAndrogen receptorP19091Mus musculusPredicted (SEA)19.9294
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)3262.89
NACHT, LRR and PYD domains-containing protein 3 structureClick to view 3D structureNACHT, LRR and PYD domains-containing protein 3Q96P20HumansPredicted (SEA)231.212
Neutrophil elastase structureClick to view 3D structureNeutrophil elastaseP08246HumansPredicted (SEA)432.92
Focal adhesion kinase 1 structureClick to view 3D structureFocal adhesion kinase 1Q05397HumansPredicted (SEA)3978.41
Click to view 3D structure2-hydroxyacylsphingosine 1-beta-galactosyltransferaseQ16880HumansPredicted (SEA)39.0803
Sodium-dependent neutral amino acid transporter B(0)AT1 structureClick to view 3D structureSodium-dependent neutral amino acid transporter B(0)AT1Q695T7HumansPredicted (SEA)164.962
Click to view 3D structureVascular endothelial growth factor receptor 3P35917Mus musculusPredicted (SEA)145.267
Serine/threonine-protein kinase B-raf structureClick to view 3D structureSerine/threonine-protein kinase B-rafP15056HumansPredicted (SEA)2617.14
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)4262.56
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoformP42336HumansPredicted (SEA)3402.32
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)4608.28
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoformP48736HumansPredicted (SEA)3091.55
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available