ChemSpider 2D Image | Enzastaurin | C32H29N5O2


  • Molecular FormulaC32H29N5O2
  • Average mass515.605 Da
  • Monoisotopic mass515.232117 Da
  • ChemSpider ID153463

More details:

Featured data source

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

170364-57-5 [RN]
1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]- [ACD/Index Name]
3-(1-Methyl-1H-indol-3-yl)-4-{1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl}-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-(1-Methyl-1H-indol-3-yl)-4-{1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(1-Méthyl-1H-indol-3-yl)-4-{1-[1-(2-pyridinylméthyl)-4-pipéridinyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
Enzastaurin [Wiki]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1682
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1682
      IRRITANT Matrix Scientific 090588
      no pictogram Axon Medchem 1682
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1682
      Warning Axon Medchem 1682
    • Drug Status:

      phase III withdrawn BIONET-Key Organics LE-0014
    • Bio Activity:

      Enzastaurin (LY317615) is a potent PKC? selective inhibitor with IC50 of 6 nM, 6- to 20-fold selectivity against PKC?, PKC? and PKC?.; IC50 value: 6 nM [1]; Target: PKC?; in vitro: investigated, including MM.1S, MM.1R, RPMI 8226 (RPMI), RPMI-Dox40 (Dox40), NCI-H929, KMS-11, OPM-2, and U266, with IC50 from 0.6-1.6 ?M. MedChem Express HY-10342
      PKC MedChem Express HY-10342
      TGF-beta/Smad MedChem Express HY-10342
      TGF-beta/Smad; MedChem Express HY-10342

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.8±32.9 °C
Index of Refraction: 1.723
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 8.71
ACD/KOC (pH 5.5): 46.86
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 256.17
ACD/KOC (pH 7.4): 1378.20
Polar Surface Area: 72 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 382.8±7.0 cm3

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