ChemSpider 2D Image | Glasdegib | C21H22N6O

Glasdegib

  • Molecular FormulaC21H22N6O
  • Average mass374.439 Da
  • Monoisotopic mass374.185516 Da
  • ChemSpider ID28518072
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-[(2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-4-piperidinyl]-3-(4-cyanophenyl)urea [ACD/IUPAC Name]
1-[(2R,4R)-2-(1H-Benzimidazol-2-yl)-1-méthyl-4-pipéridinyl]-3-(4-cyanophényl)urée [French] [ACD/IUPAC Name]
1-[(2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-4-piperidinyl]-3-(4-cyanphenyl)harnstoff [German] [ACD/IUPAC Name]
1095173-27-5 [RN]
glasdegib [Spanish] [INN]
glasdégib [French] [INN]
glasdegibum [Latin] [INN]
PF 04449913
PF-04449913
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      PF-04449913 is a potent and orally bioavailable inhibitor of smoothened with IC50 of 5 nM(Gli-luciferase reporter reporter in C3H10T1/2); the hedgehog pathway inhibitor. MedChem Express
      PF-04449913 is a potent and orally bioavailable inhibitor of smoothened with IC50 of 5 nM(Gli-luciferase reporter reporter in C3H10T1/2); the hedgehog pathway inhibitor.;IC50 value: 5 nM [1];Target: smoothenedPF-04449913, a Smoothened inhibitor was identified possessing excellent potency and physical properties that translate to an attractive predicted human pharmacokinetic profile. PF-04449913 was advanced to in vivo tumor growth inhibition studies, preclinical safety studies, and ultimately to human clinical trials. These results will be reported in separate disclosures. MedChem Express HY-16391
      Smo MedChem Express HY-16391
      Wnt/Hedgehog/Notch; MedChem Express HY-16391

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.9±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 6.49
ACD/KOC (pH 7.4): 81.04
Polar Surface Area: 97 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 281.0±5.0 cm3

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