Prazarelix (CED0066999)

Record Information
Version1.0
Creation Date2026-04-15 17:10:57 UTC
Update Date2026-05-14 20:24:44 UTC
Accession NumberCHEM136876
Identification
Common NamePrazarelix
ClassSmall Molecule
Description
Prazarelix belongs to the polypeptides, a class of organic polymers within the organic compounds. It has the chemical formula C80H102ClN23O12. With an average molecular weight of 1,613 g/mol, Prazarelix is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC80H102ClN23O12
Average Molecular Mass1613.300 g/mol
Monoisotopic Mass1611.777 g/mol
CAS Registry Number134457-28-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC2=NN=C(N)N2)C=C1)NC(=O)[C@H](CC1=CC=C(NC2=NN=C(N)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
InChI IdentifierInChI=1S/C80H102ClN23O12/c1-44(2)35-59(68(108)91-58(16-9-10-33-86-45(3)4)76(116)104-34-12-17-66(104)75(115)87-46(5)67(82)107)92-70(110)62(38-49-21-28-56(29-22-49)89-79-98-77(83)100-102-79)94-72(112)63(39-50-23-30-57(31-24-50)90-80-99-78(84)101-103-80)96-74(114)65(43-105)97-73(113)64(41-52-13-11-32-85-42-52)95-71(111)61(37-48-19-26-55(81)27-20-48)93-69(109)60(88-47(6)106)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,86,105H,9-10,12,16-17,33-35,37-41,43H2,1-6H3,(H2,82,107)(H,87,115)(H,88,106)(H,91,108)(H,92,110)(H,93,109)(H,94,112)(H,95,111)(H,96,114)(H,97,113)(H4,83,89,98,100,102)(H4,84,90,99,101,103)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66-/m1/s1
InChI KeyVLGKQBGBPIVGBX-ZVSGBDDQSA-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
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureC5a anaphylatoxin chemotactic receptor 1P30993Mus musculusPredicted (SEA)26.0016
Click to view 3D structureNeuromedin-U receptor 2Q8BZ39Mus musculusPredicted (SEA)27.7922
Mas-related G-protein coupled receptor member X2 structureClick to view 3D structureMas-related G-protein coupled receptor member X2Q96LB1HumansPredicted (SEA)44.4519
Telomeric repeat-binding factor 2 structureClick to view 3D structureTelomeric repeat-binding factor 2Q15554HumansPredicted (SEA)28.1036
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)168.466
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)171.969
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)159.357
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)133.901
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)145.734
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)93.4969
Adapter molecule crk structureClick to view 3D structureAdapter molecule crkP46108HumansPredicted (SEA)49.2786
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)134.29
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)159.824
Click to view 3D structureAlpha-cobratoxinP01391Naja kaouthiaPredicted (SEA)61.1895
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)177.496
Click to view 3D structureNeuropeptide FF receptor 2Q9Y5X5HumansPredicted (SEA)92.4849
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)77.3821
Click to view 3D structureNeurotensin receptor type 1O88319Mus musculusPredicted (SEA)42.5835
Click to view 3D structureApical membrane antigen 1Q7KQK5Plasmodium falciparum (isolate 3D7)Predicted (SEA)60.2553
Appetite-regulating hormone structureClick to view 3D structureAppetite-regulating hormoneQ9UBU3HumansPredicted (SEA)49.9792
Click to view 3D structureNeuromedin-U receptor 1O55040Mus musculusPredicted (SEA)52.5482
Click to view 3D structureAppetite-regulating hormoneQ9BDJ6Bos taurusPredicted (SEA)50.9134
Neurotensin receptor type 1 structureClick to view 3D structureNeurotensin receptor type 1P30989HumansPredicted (SEA)50.2127
C5a anaphylatoxin chemotactic receptor 1 structureClick to view 3D structureC5a anaphylatoxin chemotactic receptor 1P21730HumansPredicted (SEA)38.3018
Click to view 3D structureNeuropeptide FF receptor 1Q9GZQ6HumansPredicted (SEA)94.6646
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available