Elagolix (CED0010298)

Record Information
Version1.0
Creation Date2026-04-05 13:40:41 UTC
Update Date2026-08-22 10:51:06 UTC
Accession NumberCHEM103030
Identification
Common NameElagolix
ClassSmall Molecule
Description
Elagolix is an organic compound with the formula C32H30F5N3O5. Elagolix 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 631.60 g/mol, Elagolix is a heavy molecule. It is found in healthcare, pharmaceuticals, and veterinary products as a hypothalamic hormone, with oral exposure being the recorded route. Regarding its pharmacological activity, Elagolix acts as an antagonist of the gonadotropin-releasing hormone receptor (GNRHR).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC32H30F5N3O5
Average Molecular Mass631.600 g/mol
Monoisotopic Mass631.211 g/mol
CAS Registry Number834153-87-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC=CC(=C1F)C1=C(C)N(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C1=O
InChI IdentifierInChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1
InChI KeyHEAUOKZIVMZVQL-VWLOTQADSA-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 Spectrumsplash10-01u9-1310169000-c1bd6bab61a2769bb84eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004r-3501891000-e75bc747c6d818dacf03Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-2920000000-21414924d710ccbce814Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f89-0000649000-d5f1d00157b91b8d1903Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0105925000-35e69459ce3b903b8abcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0k9b-2462900000-4eeec06016c3f824c088Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0000129000-12dee9cff83b3279367cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006x-3900010000-2072972521131146373eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0kdi-1300931000-7c6e7c6f5f8bd3332730Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01x0-0000988000-abbeaf3c31460dd6e98cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01t9-1001491000-188ac846fbaf283b1465Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03g0-0214961000-b610d4550a6fcc07a127Not 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
1089.0Log mg/kg[610:1900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
330Hypothalamic hormonesHealthcare, pharmaceuticals & veterinary productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
Pathways
1 pathway
Elagolix Drug Metabolism Action Pathway
Elagolix Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureGonadotropin-releasing hormone receptorQ8SPZ1Macaca mulattaPredicted (SEA)0.0778492
Gonadotropin-releasing hormone receptor structureClick to view 3D structureGonadotropin-releasing hormone receptorP30968HumansPredicted (SEA)0.0778492
Click to view 3D structureGonadotropin-releasing hormone receptorP30969Rattus norvegicusPredicted (SEA)0.0778492
Apelin receptor structureClick to view 3D structureApelin receptorP35414HumansPredicted (SEA)1.94623
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)12.6116
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)44.8412
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)498.235
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)103.851
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)281.269
CX3C chemokine receptor 1 structureClick to view 3D structureCX3C chemokine receptor 1P49238HumansPredicted (SEA)1.01204
Glucose-dependent insulinotropic receptor structureClick to view 3D structureGlucose-dependent insulinotropic receptorQ8TDV5HumansPredicted (SEA)5.60514
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)155.854
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)4646.74
Chymase structureClick to view 3D structureChymaseP23946HumansPredicted (SEA)245.77
Click to view 3D structureCysteinyl leukotriene receptor 2Q2NNR4Cavia porcellusPredicted (SEA)11.9109
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)3779.35
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)2257.78
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)723.842
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)4389.06
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)5036.77
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)1510.66
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)3356.24
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)5823.9
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)3339.42
Click to view 3D structure5-hydroxytryptamine receptor 1BP28564Rattus norvegicusPredicted (SEA)920.178
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available