Naloxegol (CED0011275)

Record Information
Version1.0
Creation Date2026-04-04 18:14:36 UTC
Update Date2026-08-22 11:36:43 UTC
Accession NumberCHEM077393
Identification
Common NameNaloxegol
ClassSmall Molecule
Description
Naloxegol is an organic compound with the formula C34H53N1O11. Naloxegol belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. With an average molecular weight of 651.79 g/mol, Naloxegol is a heavy molecule. It acts as an antagonist of the Mu-type opioid receptor (OPRM1). This compound is utilized in healthcare, pharmaceuticals, and veterinary products as a drug for constipation and is administered via the oral exposure route.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC34H53N1O11
Average Molecular Mass651.794 g/mol
Monoisotopic Mass651.362 g/mol
CAS Registry Number854601-70-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=C5C(O[C@@H]1[C@@]25CCN3CC=C)=C(O)C=C4
InChI IdentifierInChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3
InChI KeyXNKCCCKFOQNXKV-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 SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
253Drugs for constipationHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
2 pathways
Naloxegol Action Pathway
Naloxegol Action Pathway
Naloxegol Drug Metabolism Action Pathway
Naloxegol Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)61.0338
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)42.8171
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)15.1806
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)50.1349
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)10.8989
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)53.9495
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)76.3701
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)78.0049
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)85.4006
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)61.3452
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)47.2545
Click to view 3D structureMu-type opioid receptorP79350Bos taurusPredicted (SEA)2.95827
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)191.509
Orexin/Hypocretin receptor type 1 structureClick to view 3D structureOrexin/Hypocretin receptor type 1O43613HumansPredicted (SEA)11.9109
Nociceptin receptor structureClick to view 3D structureNociceptin receptorP41146HumansPredicted (SEA)74.4239
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)205.6
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)612.596
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)142.853
C-C chemokine receptor type 5 structureClick to view 3D structureC-C chemokine receptor type 5P51681HumansPredicted (SEA)26.4687
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)949.683
Mas-related G-protein coupled receptor member X2 structureClick to view 3D structureMas-related G-protein coupled receptor member X2Q96LB1HumansPredicted (SEA)191.431
Click to view 3D structureG_PROTEIN_RECEP_F1_2 domain-containing proteinF7HEV7Macaca mulattaPredicted (SEA)12.6894
Click to view 3D structureKappa-type opioid receptorH9FL65Macaca mulattaPredicted (SEA)12.6894
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)2607.64
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)2416.05
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available