Afamelanotide (CED0012288)

Record Information
Version1.0
Creation Date2026-04-14 15:27:23 UTC
Update Date2026-05-14 18:11:43 UTC
Accession NumberCHEM129046
Identification
Common NameAfamelanotide
ClassSmall Molecule
Description
Afamelanotide is a compound with the chemical formula C78H111N21O19. Afamelanotide belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 1,647 g/mol, Afamelanotide is a heavy molecule. This compound acts as an agonist or inhibitor of two protein targets: the Melanocortin receptor 4 (MC4R) and the Melanocyte-stimulating hormone receptor (MC1R). It is found in or released from two recorded sources, specifically antennas in electrical and electronic equipment and protectives against uv-radiation in healthcare, pharmaceuticals and veterinary products. The recorded route of exposure for Afamelanotide is subcutaneous.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC78H111N21O19
Average Molecular Mass1646.845 g/mol
Monoisotopic Mass1645.837 g/mol
CAS Registry Number75921-69-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
InChI IdentifierInChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
InChI KeyUAHFGYDRQSXQEB-LEBBXHLNSA-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
SpectraNot Available
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
301Protectives against uv-radiationHealthcare, pharmaceuticals & veterinary productsNot Available
506AntennasElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAlpha-cobratoxinP01391Naja kaouthiaPredicted (SEA)0.622794
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)2.41333
Melanocyte-stimulating hormone receptor structureClick to view 3D structureMelanocyte-stimulating hormone receptorQ01726HumansPredicted (SEA)1.94623
Click to view 3D structureDickkopf WNT-signaling pathway inhibitor 1A6I0Z0Rattus norvegicusPredicted (SEA)5.76084
Melanocortin receptor 5 structureClick to view 3D structureMelanocortin receptor 5P33032HumansPredicted (SEA)0.700643
Click to view 3D structureMelanocortin receptor 3P33033Mus musculusPredicted (SEA)2.10193
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)2.56902
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)2.33548
Click to view 3D structureSclerostinQ99P67Rattus norvegicusPredicted (SEA)7.70707
Click to view 3D structureMelanocortin receptor 5P41149Mus musculusPredicted (SEA)2.41333
Prolactin-releasing peptide structureClick to view 3D structureProlactin-releasing peptideP81277HumansPredicted (SEA)2.10193
Melanocortin receptor 3 structureClick to view 3D structureMelanocortin receptor 3P41968HumansPredicted (SEA)3.11397
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)21.0971
Click to view 3D structureApical membrane antigen 1Q7KQK5Plasmodium falciparum (isolate 3D7)Predicted (SEA)7.39568
Neuropeptide Y receptor type 2 structureClick to view 3D structureNeuropeptide Y receptor type 2P49146HumansPredicted (SEA)15.6477
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)26.0795
Neuropeptide Y receptor type 1 structureClick to view 3D structureNeuropeptide Y receptor type 1P25929HumansPredicted (SEA)18.4503
Caveolin-1 structureClick to view 3D structureCaveolin-1Q03135HumansPredicted (SEA)15.1806
Click to view 3D structureGlucagon-like peptide 2 receptorQ9Z0W0Rattus norvegicusPredicted (SEA)18.2167
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)32.0739
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)26.4687
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)35.0322
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)34.3315
Click to view 3D structureG-protein coupled receptor MthO97148Drosophila melanogasterPredicted (SEA)13.7793
Glucagon receptor structureClick to view 3D structureGlucagon receptorP47871HumansPredicted (SEA)17.9053
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available