ChemSpider 2D Image | EPZ005687 | C32H37N5O3

EPZ005687

  • Molecular FormulaC32H37N5O3
  • Average mass539.668 Da
  • Monoisotopic mass539.289612 Da
  • ChemSpider ID29354028

More details:

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

1396772-26-1 [RN]
1-cyclopentyl-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-6-[4-(4-morpholinylmethyl)phenyl]-1H-indazole-4-carboxamide
1-Cyclopentyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-6-[4-(4-morpholinylmethyl)phenyl]-1H-indazol-4-carboxamid [German] [ACD/IUPAC Name]
1-Cyclopentyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-6-[4-(4-morpholinylmethyl)phenyl]-1H-indazole-4-carboxamide [ACD/IUPAC Name]
1-Cyclopentyl-N-[(4,6-diméthyl-2-oxo-1,2-dihydro-3-pyridinyl)méthyl]-6-[4-(4-morpholinylméthyl)phényl]-1H-indazole-4-carboxamide [French] [ACD/IUPAC Name]
1-Cyclopentyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-{4-[(morpholin-4-yl)methyl]phenyl}-1H-indazole-4-carboxamide
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
1H-Indazole-4-carboxamide, 1-cyclopentyl-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-6-[4-(4-morpholinylmethyl)phenyl]- [ACD/Index Name]
EPZ005687
[1396772-26-1] [RN]
More...

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

139772--26-1 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Histone Methyltransferase inhibitor TargetMol T1905

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15555
      Cell Cycle/DNA Damage; MedChem Express HY-15555
      Chromatin/Epigenetic TargetMol T1905
      EPZ-005687 is a potent and selective inhibitor of EZH2 with Ki of 24 nM, 50-fold selectivity against EZH1 and 500-fold selectivity against 15 other protein methyltransferases. MedChem Express
      EPZ-005687 is a potent and selective inhibitor of EZH2 with Ki of 24 nM, 50-fold selectivity against EZH1 and 500-fold selectivity against 15 other protein methyltransferases.; IC50 Value: 24 nM (Ki); Target: EZH2; in vitro: EPZ005687 shows concentration-dependent inhibition of PRC2 enzymatic activity with an IC50 value of 54 nM. MedChem Express HY-15555
      EPZ-005687 is a potent and selective inhibitor of EZH2 with Ki of 24 nM, 50-fold selectivity against EZH1 and 500-fold selectivity against 15 other protein methyltransferases.;IC50 Value: 24 nM (Ki);Target: EZH2;In vitro: EPZ005687 shows concentration-dependent inhibition of PRC2 enzymatic activity with an IC50 value of 54 nM. It is a direct inhibitor of PRC2 enzymatic activity and does not function by disrupting the protein-protein interactions among the PRC2 subunits. EPZ005687 binds in the SAM pocket of the EZH2 SET domain and is a SAM-competitive inhibitor of EZH2 enzyme activity. The affinity of EPZ005687 is similar (within a two-fold range) for PRC2 complexes containing wild-type and Tyr641 mutant EZH2, but significantly greater affinity for the A677G mutant enzyme (5.4-fold). EPZ005687 reduces H3K27 methylation in various lymphoma cells. It shows robust cell killing in heterozygous Tyr641 or Ala677 mutant cells, with minimal effects on the proliferation of wild-type cells. E MedChem Express HY-15555
      EZH2 MedChem Express HY-15555
      EZH2 TargetMol T1905
      EZH2 HMTase MedChem Express HY-15555

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

Density: 1.3±0.1 g/cm3
Boiling Point: 797.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.4±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 9.31
ACD/KOC (pH 5.5): 88.13
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 86.99
ACD/KOC (pH 7.4): 823.93
Polar Surface Area: 88 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 410.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement