ChemSpider 2D Image | GSK126 | C31H38N6O2

GSK126

  • Molecular FormulaC31H38N6O2
  • Average mass526.672 Da
  • Monoisotopic mass526.305603 Da
  • ChemSpider ID29763394

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-Butanyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indol-4-carboxamid [German] [ACD/IUPAC Name]
1-[(2S)-2-Butanyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide [ACD/IUPAC Name]
1-[(2S)-2-Butanyl]-N-[(4,6-diméthyl-2-oxo-1,2-dihydro-3-pyridinyl)méthyl]-3-méthyl-6-[6-(1-pipérazinyl)-3-pyridinyl]-1H-indole-4-carboxamide [French] [ACD/IUPAC Name]
1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide
1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]indole-4-carboxamide
1346574-57-9 [RN]
1H-Indole-4-carboxamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methyl-1-[(1S)-1-methylpropyl]-6-[6-(1-piperazinyl)-3-pyridinyl]- [ACD/Index Name]
GSK126
GSK-2816126
N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methyl-1-[(1S)-1-methylpropyl]-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

W4OGW9QZ97 [DBID]
PubChem Substance ID 329825761 [DBID]
UNII:W4OGW9QZ97 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-13470
      Cell Cycle/DNA Damage; MedChem Express HY-13470
      EZH2 MedChem Express HY-13470
      EZH2 HMTase MedChem Express HY-13470
      GSK126 is a potent, highly selective, S-adenosyl-methionine-competitive, small-molecule inhibitor of EZH2 methyltransferase with Ki value of 0.5 nM. MedChem Express
      GSK126 is a potent, highly selective, S-adenosyl-methionine-competitive, small-molecule inhibitor of EZH2 methyltransferase with Ki value of 0.5 nM.; IC50 Value: 0.5 nM (Ki); Target: EZH2; in vitro: Although GSK126 induced loss of H3K27me3 independent of EZH2 mutation status, six of seven lymphoma cell lines sensitive to GSK126 treatment were EZH2-mutation(+), while only two of 11 lymphoma cell lines less sensitive to GSK126 were EZH2-mutation(+) [1]. MedChem Express HY-13470

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 451.8±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 9.48
ACD/KOC (pH 7.4): 78.89
Polar Surface Area: 91 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 418.9±7.0 cm3

Click to predict properties on the Chemicalize site


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