Darolutamide (CED0006013)

Record Information
Version1.0
Creation Date2026-04-14 19:11:56 UTC
Update Date2026-08-20 02:36:03 UTC
Accession NumberCHEM131773
Identification
Common NameDarolutamide
ClassSmall Molecule
Description
Darolutamide is an organic compound with the formula C19H19ClN6O2 and an average molecular weight of 398.85 g/mol. Darolutamide belongs to the pyrazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound. This substance is recorded as being released from healthcare, pharmaceuticals, and veterinary products, specifically as a hormone antagonist and related agent, with oral exposure routes. The compound acts as an antagonist of two protein targets: the androgen receptor (AR) and the progesterone receptor (PGR). Health effects associated with darolutamide include hypertension (PMC9869701) and fatigue (PMC9869701).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H19ClN6O2
Average Molecular Mass398.850 g/mol
Monoisotopic Mass398.126 g/mol
CAS Registry Number1297538-32-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESC[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)O
InChI IdentifierInChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1
InChI KeyBLIJXOOIHRSQRB-PXYINDEMSA-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 Spectrumsplash10-001i-0229000000-21267e02c2e7654774fcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ox-6975000000-d70a30e60c45c8cb7d5bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0k96-9740000000-84034ad7c41cdc47022eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f6t-1259000000-73d6d1ccda7e9b95ade1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-5597000000-b0691c34f2847704931cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-1159-9560000000-ab05f4aa25259e908032Not 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
799.0Log mg/kg[450:1400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
hypertensionassociated_withNot AvailablePMC9869701
fatigueassociated_withNot AvailablePMC9869701
Exposure Sources
Source IDSourceSectorReference
360Hormone antagonists and related agentsHealthcare, pharmaceuticals & veterinary productsNot Available
620Card GamesRecreation & sports surfacesNot Available
Pathways
1 pathway
Darolutamide Drug Metabolism Action Pathway
Darolutamide Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)182.323
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)2178.77
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)4625.96
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)4552.16
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)3437.9
Serine/threonine-protein kinase D3 structureClick to view 3D structureSerine/threonine-protein kinase D3O94806HumansPredicted (SEA)2827.33
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)3215.33
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)3453.31
Serine/threonine-protein kinase PAK 4 structureClick to view 3D structureSerine/threonine-protein kinase PAK 4O96013HumansPredicted (SEA)3083.45
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)3509.83
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)3025.61
Click to view 3D structureMitogen-activated protein kinase kinase kinase kinase 2Q12851HumansPredicted (SEA)2940.99
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)3872.69
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)3383.64
Click to view 3D structurecAMP-dependent protein kinase catalytic subunit PRKXP51817HumansPredicted (SEA)2515.0
Death-associated protein kinase 3 structureClick to view 3D structureDeath-associated protein kinase 3O43293HumansPredicted (SEA)2770.5
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)3143.16
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)2958.27
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)3095.83
Serine/threonine-protein kinase N2 structureClick to view 3D structureSerine/threonine-protein kinase N2Q16513HumansPredicted (SEA)2674.67
Click to view 3D structureMitogen-activated protein kinase kinase kinase kinase 5Q9Y4K4HumansPredicted (SEA)2658.94
Serine/threonine-protein kinase 17A structureClick to view 3D structureSerine/threonine-protein kinase 17AQ9UEE5HumansPredicted (SEA)2506.36
Maternal embryonic leucine zipper kinase structureClick to view 3D structureMaternal embryonic leucine zipper kinaseQ14680HumansPredicted (SEA)2444.39
Homeodomain-interacting protein kinase 2 structureClick to view 3D structureHomeodomain-interacting protein kinase 2Q9H2X6HumansPredicted (SEA)2449.29
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)3153.91
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available