ChemSpider 2D Image | LY2090314 | C28H25FN6O3

LY2090314

  • Molecular FormulaC28H25FN6O3
  • Average mass512.535 Da
  • Monoisotopic mass512.197205 Da
  • ChemSpider ID8204956

More details:

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

1H-Pyrrole-2,5-dione, 3-[9-fluoro-1,2,3,4-tetrahydro-2-(1-piperidinylcarbonyl)[1,4]diazepino[6,7,1-hi]indol-7-yl]-4-imidazo[1,2-a]pyridin-3-yl- [ACD/Index Name]
3-[9-Fluor-2-(1-piperidinylcarbonyl)-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-7-yl]-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[9-fluoro-1,2,3,4-tetrahydro-2-(1-piperidinylcarbonyl)pyrrolo[3,2,1-jk][1,4]benzodiazepin-7-yl]-4-imidazo[1,2-a]pyridin-3-yl-1H-pyrrole-2,5-dione
3-[9-Fluoro-2-(1-piperidinylcarbonyl)-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-7-yl]-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[9-Fluoro-2-(1-pipéridinylcarbonyl)-1,2,3,4-tétrahydro[1,4]diazépino[6,7,1-hi]indol-7-yl]-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-[9-fluoro-2-(piperidin-1-ylcarbonyl)-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-7-yl]-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione
3-[9-Fluoro-2-(piperidin-1-ylcarbonyl)-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-7-yl]-4-imidazo[1,2-a]pyridin-3-yl-1H-pyrrole-2,5-dione
603288-22-8 [RN]
LY2090314
LY-2090314
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

822M3GYM67 [DBID]
UNII:822M3GYM67 [DBID]
UNII-822M3GYM67 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      GSK-3 inhibitor TargetMol T1755

    • Chemical Class:

      A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol -3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GS K-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer. ChEBI CHEBI:167661

    • Bio Activity:

      GSK-3 MedChem Express HY-16294
      GSK-3??/?? TargetMol T1755
      LY2090314 is a potent inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50s of 1.5 nM and 0.9 nM for GSK-3? and GSK-3? respectively.; IC50 Value: 1.5 nM (GSK-3?); 0.9 nM (GSK-3?) [1]; Target: GSK-3?; GSK-3?; LY2090314 is a potent inhibitor of glycogen synthase kinase-3 (GSK-3) which plays an important role in many pathways, including initiation of protein synthesis, cell proliferation, cell differentiation, and apoptosis.; in vitro: LY2090314 selectively inhibits the activity of GSK-3 by interrupting ATP binding. MedChem Express HY-16294
      PI3K/Akt/mTOR MedChem Express HY-16294
      PI3K/Akt/mTOR ; Wnt/Hedgehog/Notch; MedChem Express HY-16294
      PI3K/Akt/mTOR Signaling TargetMol T1755

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.776
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 42.77
ACD/KOC (pH 5.5): 422.46
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 44.22
ACD/KOC (pH 7.4): 436.78
Polar Surface Area: 92 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 330.4±7.0 cm3

Click to predict properties on the Chemicalize site


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