ChemSpider 2D Image | Filgotinib | C21H23N5O3S


  • Molecular FormulaC21H23N5O3S
  • Average mass425.504 Da
  • Monoisotopic mass425.152161 Da
  • ChemSpider ID28189566

More details:

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

Filgotinib [INN] [USAN]
1206161-97-8 [RN]
Cyclopropanecarboxamide, N-[5-[4-[(1,1-dioxido-4-thiomorpholinyl)methyl]phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl]- [ACD/Index Name]
N-(5-{4-[(1,1-Dioxido-4-thiomorpholinyl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-(5-{4-[(1,1-Dioxido-4-thiomorpholinyl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide [ACD/IUPAC Name]

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

9720 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      JAK inhibitor TargetMol T3076
      JAK inhibitor; Tyk inhibitor TargetMol T1929
    • Bio Activity:

      GLPG0634(Filgotinib) is a selective JAK1 inhibitor with IC50 of 10 nM, 28 nM, 810 nM, and 116 nM for JAK1, JAK2, JAK3, and TYK2, respectively.; IC50 value: 10/28/810/116 nM(JAK1/JAK2/JAK3/Tyk2); Target: JAK1;Tyk2; in vitro: In cell lines, GLPG0634 inhibits IL-2- and IL-4-induced JAK1/JAK3/?c signaling and IFN-?B2-induced JAK1/TYK2 type II receptor signaling with IC50 ranged from 150 to 760 nM. MedChem Express HY-18300
      JAK MedChem Express HY-18300
      JAK/STAT Signaling MedChem Express HY-18300
      JAK/STAT Signaling TargetMol T3076, T1929
      JAK/STAT Signaling; MedChem Express HY-18300
      JAK1/2/3 TargetMol T3076
      JAK1/JAK2/JAK3/Tyk2 TargetMol T1929

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 72.07
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 67.62
Polar Surface Area: 105 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 281.1±7.0 cm3

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