Difelikefalin (CED0012318)

Record Information
Version1.0
Creation Date2026-04-14 18:30:33 UTC
Update Date2026-08-22 11:57:25 UTC
Accession NumberCHEM131405
Identification
Common NameDifelikefalin
ClassSmall Molecule
Description
Difelikefalin is a compound with the chemical formula C36H53N7O6. Difelikefalin 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 679.86 g/mol, Difelikefalin is a heavy molecule. Regarding its biological activity, Difelikefalin acts as an agonist of the Kappa-type opioid receptor (OPRK1). The compound has been identified in 11 recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically unclassified therapeutic products, as well as household cleaning and consumer products such as other smoking requisites. It is also found in building and construction materials, specifically tents or canopies, and electrical and electronic equipment, including electric hearing aids, antennas, and X ray tubes. Additionally, the compound is associated with food, food processing, and cookware, specifically the treatment of hops and the preparation of wort, vinegar, malt, and brew kettles. The recorded route of exposure for this compound is intravenous.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC36H53N7O6
Average Molecular Mass679.863 g/mol
Monoisotopic Mass679.406 g/mol
CAS Registry Number1024828-77-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
InChI IdentifierInChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1
InChI KeyFWMNVWWHGCHHJJ-SKKKGAJSSA-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 Spectrumsplash10-0089-1332019000-94c909eebac571b254b1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-3973111000-3b6944f1c1badb73edc3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-5930000000-77b2d4c0534a64cb484cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0121139000-ac584eac8c5c62842aceNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03kc-1853297000-fd96f0ec1f6993473ed5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ox-4931010000-c2d25c40934168e91724Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0320109000-4b998de41e355afa5dc4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-007p-7942007000-c7b7c054eef4e1686a48Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05i3-6900000000-6a3b77079f2e69a63a4eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0200009000-1d5bf6b330b7e4b36906Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-002f-8953356000-33332126b5e110cf80a5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-2911000000-1f3bfd5845ad6bb22ec5Not 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
409Unclassified therapeutic productsHealthcare, pharmaceuticals & veterinary productsNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
540X Ray TubesElectrical & Electronic EquipmentNot Available
542Brew KettlesFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
601Lawn MowersAgriculture & land managementNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
639Degreasing LeatherTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
Pathways
2 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)60.2553
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)14.7135
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)99.4135
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)88.826
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)97.0001
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)88.3589
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)74.5796
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)115.684
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)110.079
Click to view 3D structureC5a anaphylatoxin chemotactic receptor 1P30993Mus musculusPredicted (SEA)27.4808
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)52.3147
Proenkephalin-B structureClick to view 3D structureProenkephalin-BP01213HumansPredicted (SEA)9.10836
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)40.9487
Proteasome subunit beta type-2 structureClick to view 3D structureProteasome subunit beta type-2P49721HumansPredicted (SEA)7.78492
Proteasome subunit beta type-5 structureClick to view 3D structureProteasome subunit beta type-5P28074HumansPredicted (SEA)14.1686
Proteasome subunit beta type-8 structureClick to view 3D structureProteasome subunit beta type-8P28062HumansPredicted (SEA)3.50322
Proteasome subunit beta type-10 structureClick to view 3D structureProteasome subunit beta type-10P40306HumansPredicted (SEA)2.02408
Telomeric repeat-binding factor 2 structureClick to view 3D structureTelomeric repeat-binding factor 2Q15554HumansPredicted (SEA)29.6606
Chromobox protein homolog 7 structureClick to view 3D structureChromobox protein homolog 7O95931HumansPredicted (SEA)7.94062
Chromobox protein homolog 5 structureClick to view 3D structureChromobox protein homolog 5P45973HumansPredicted (SEA)2.17978
Mas-related G-protein coupled receptor member X2 structureClick to view 3D structureMas-related G-protein coupled receptor member X2Q96LB1HumansPredicted (SEA)53.0932
Click to view 3D structureSubstance-K receptorP16610Rattus norvegicusPredicted (SEA)53.6381
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)57.842
Click to view 3D structureSnake venom metalloproteinase BaP1P83512Bothrops asperPredicted (SEA)4.12601
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)66.094
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available