ChemSpider 2D Image | Degarelix | C82H103ClN18O16


  • Molecular FormulaC82H103ClN18O16
  • Average mass1632.259 Da
  • Monoisotopic mass1630.748779 Da
  • ChemSpider ID17292756
  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

214766-78-6 [RN]
degarelix [Spanish] [INN]
dégarélix [French] [INN]
degarelixum [Latin] [INN]
дегареликс [Russian] [INN]
ديغاريليكس [Arabic] [INN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FE200486 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Degarelix is a gonadotrophin-releasing hormone (GnRH) antagonist for the first-line treatment of androgen-dependent advanced prostate cancer.;Target: GnRHDegarelix is an effective and well tolerated treatment for advanced prostate cancer (PCa). As an antagonist, Degarelix benefits from a direct mechanism of action that inhibits GnRH without causing an initial surge in gonadotropins or consequently testosterone [4]. Degarelix displays similar efficacy to the luteinizing hormone-releasing hormone (LHRH) agonist, leuprolide, for testosterone suppression in PCa. However, testosterone reduction was more rapid with Degarelix and, unlike leuprolide, occurred without a testosterone surge or microsurges; in advanced disease, the testosterone surge associated with LHRH agonists can produce symptom flare. Degarelix also displayed superior prostate-specific antigen (PSA) progression-free survival (PFS) compared with leuprolide and in metastatic disease was associated with better control of the MedChem Express HY-16168A
      GNRH Receptor MedChem Express HY-16168A
      GPCR/G protein; MedChem Express HY-16168A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 432.8±0.3 cm3
#H bond acceptors: 34
#H bond donors: 19
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 4.45
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 513 Å2
Polarizability: 171.6±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 1231.3±3.0 cm3

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