Setmelanotide (CED0008382)

Record Information
Version1.0
Creation Date2026-04-14 18:20:24 UTC
Update Date2026-08-22 15:09:36 UTC
Accession NumberCHEM131306
Identification
Common NameSetmelanotide
ClassSmall Molecule
Description
Setmelanotide is an organic compound with the formula C49H68N18O9S2. Setmelanotide 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 1,117 g/mol, Setmelanotide is a heavy molecule. It acts as an agonist of the Melanocortin receptor 4 (MC4R). This compound is found in healthcare, pharmaceuticals, and veterinary products, specifically within antiobesity preparations excluding diet products. The recorded route of exposure for Setmelanotide is subcutaneous.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC49H68N18O9S2
Average Molecular Mass1117.320 g/mol
Monoisotopic Mass1116.486 g/mol
CAS Registry Number920014-72-8
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H]N([H])C(=O)[C@@H]1CSSC[C@H](N([H])C(=O)[C@H](CCCN=C(N([H])[H])N([H])[H])N([H])C(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CN=CN2[H])C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CN([H])C3=CC=CC=C23)C(=O)N1
InChI IdentifierInChI=1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1
InChI KeyHDHDTKMUACZDAA-PHNIDTBTSA-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 Spectrumsplash10-014i-2900000000-6332936909fa256548c7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uxr-4900000003-6bb5673fc34cfc78fd7dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-6900000010-dba534618c72e903e2d2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-2900000000-028390d90f47eb60a068Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0aov-9300000003-8cfc06e9e239cb94747aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9600000000-d867c50aab40dffd4b5bNot 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
260Antiobesity preparations, excl. diet productsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Setmelanotide Drug Metabolism Action Pathway
Setmelanotide Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Melanocyte-stimulating hormone receptor structureClick to view 3D structureMelanocyte-stimulating hormone receptorQ01726HumansPredicted (SEA)6.53933
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)8.71911
Melanocortin receptor 3 structureClick to view 3D structureMelanocortin receptor 3P41968HumansPredicted (SEA)5.76084
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)9.26406
Melanocortin receptor 5 structureClick to view 3D structureMelanocortin receptor 5P33032HumansPredicted (SEA)10.0426
Click to view 3D structureMelanocortin receptor 5P41149Mus musculusPredicted (SEA)15.5698
Click to view 3D structureCadherin-2P19022HumansPredicted (SEA)0.155698
Somatostatin receptor type 5 structureClick to view 3D structureSomatostatin receptor type 5P35346HumansPredicted (SEA)9.34191
Somatostatin receptor type 2 structureClick to view 3D structureSomatostatin receptor type 2P30874HumansPredicted (SEA)10.2761
Somatostatin receptor type 4 structureClick to view 3D structureSomatostatin receptor type 4P31391HumansPredicted (SEA)8.95266
Click to view 3D structureMelanocortin receptor 3P32244Rattus norvegicusPredicted (SEA)1.94623
Somatostatin receptor type 3 structureClick to view 3D structureSomatostatin receptor type 3P32745HumansPredicted (SEA)10.5875
Somatostatin receptor type 1 structureClick to view 3D structureSomatostatin receptor type 1P30872HumansPredicted (SEA)9.41976
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)32.3074
Click to view 3D structureSomatostatin receptor type 5P30938Rattus norvegicusPredicted (SEA)5.99439
Click to view 3D structureSomatostatin receptor type 2P30875MousePredicted (SEA)5.99439
Click to view 3D structureSodium channel protein type 4 subunit alphaQ9ER60Mus musculusPredicted (SEA)5.29375
Click to view 3D structureUrotensin-2 receptorP49684Rattus norvegicusPredicted (SEA)3.73676
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)143.243
Urotensin-2 receptor structureClick to view 3D structureUrotensin-2 receptorQ9UKP6HumansPredicted (SEA)9.03051
Click to view 3D structureSomatostatin receptor type 3P30935Mus musculusPredicted (SEA)6.46149
Thymic stromal lymphopoietin structureClick to view 3D structureThymic stromal lymphopoietinQ969D9HumansPredicted (SEA)11.366
Complement C3 structureClick to view 3D structureComplement C3P01024HumansPredicted (SEA)3.42537
Click to view 3D structureSodium channel protein type 9 subunit alphaO08562Rattus norvegicusPredicted (SEA)26.313
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)152.974
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available