ChemSpider 2D Image | Cebranopadol | C24H27FN2O

Cebranopadol

  • Molecular FormulaC24H27FN2O
  • Average mass378.482 Da
  • Monoisotopic mass378.210754 Da
  • ChemSpider ID29398942
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1r,4r)-6'-Fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine [ACD/IUPAC Name]
7GDW9S3GN3
863513-91-1 [RN]
9631
Cebranopadol [INN] [USAN]
Cebranopadol [Spanish] [INN]
Cebranopadol [French] [INN]
Cebranopadolum [Latin] [INN]
GRT 6005
Spiro[cyclohexane-1,1'(3'H)-pyrano[3,4-b]indol]-4-amine, 6'-fluoro-4',9'-dihydro-N,N-dimethyl-4-phenyl- [ACD/Index Name]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cebranopadol(GRT-6005) is a novel first in class compounds with potent agonist activity on ORL-1 (opioid receptor like -1) and the well established mu opioid receptor. MedChem Express
      Cebranopadol(GRT-6005) is a novel first in class compounds with potent agonist activity on ORL-1 (opioid receptor like -1) and the well established mu opioid receptor.; IC50 Value:; Target:ORL-1 ; Cebranopadol and GRT 6006 are novel first-in-class compounds with unique pharmacological and pharmacokinetic profiles that may enhance their effect in certain pain conditions. MedChem Express HY-15536
      Cebranopadol(GRT-6005) is a novel first in class compounds with potent agonist activity on ORL-1 (opioid receptor like -1) and the well established mu opioid receptor.;IC50 Value:;Target:ORL-1 Cebranopadol and GRT 6006 are novel first-in-class compounds with unique pharmacological and pharmacokinetic profiles that may enhance their effect in certain pain conditions. The unique mode of action of these compounds builds on the ORL-1 receptor and, supported by the established mu opioid receptor, is particularly suitable for the treatment of moderate to severe chronic pain [1].;In vitro:;In vivo:Clinical trial: Cebranopadol has successfully completed initial proof-of-concept studies in nociceptive and neuropathic pain with further Phase II studies planned prior to initiation of Phase III studies. MedChem Express HY-15536
      GPCR/G protein MedChem Express HY-15536
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-15536
      Opioid Receptor MedChem Express HY-15536

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

Density: 1.2±0.1 g/cm3
Boiling Point: 547.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 284.9±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 11.70
ACD/KOC (pH 5.5): 35.65
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 541.11
ACD/KOC (pH 7.4): 1648.92
Polar Surface Area: 28 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 306.3±5.0 cm3

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