ChemSpider 2D Image | cilengitide | C27H40N8O7


  • Molecular FormulaC27H40N8O7
  • Average mass588.656 Da
  • Monoisotopic mass588.302002 Da
  • ChemSpider ID154046
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source

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

188968-51-6 [RN]
cilengitida [Spanish] [INN]
cilengitide [French] [INN]
cilengitidum [Latin] [INN]
Cyclo(L-arginylglycyl-L-α-asparagyl-D-phenylalanyl-N-methyl-L-valyl) [German] [ACD/IUPAC Name]
Cyclo(L-arginylglycyl-L-α-aspartyl-D-phenylalanyl-N-methyl-L-valyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-arginylglycyl-L-α-aspartyl-D-phénylalanyl-N-méthyl-L-valyl) [French] [ACD/IUPAC Name]
[(2S,5R,8S,11S)-5-benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid

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

D03497 [DBID]
EMD 121974 [DBID]
EMD-121974 [DBID]
EMD-85189 [DBID]
NSC-707544 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      Integrin inhibitor TargetMol T2494
    • Bio Activity:

      ??v??3 receptor;??v??5 receptor TargetMol T2494
      Cell Cycle/Checkpoint TargetMol T2494
      Cilengitide (EMD 121974; NSC 707544) is a potent integrin inhibitor for ?v?3 and ?v?5 integrin with IC50 of 4.1 nM and 79 nM, respectively; ~10-fold selectivity against gpIIbIIIa. MedChem Express HY-16141
      Integrin MedChem Express HY-16141
      Others MedChem Express HY-16141
      Potent and selective inhibitor of integrins ?v?3 and ?v?5 Tocris Bioscience 5870
      Potent and selective inhibitor of integrins ?v?3 and ?v?5 (IC50 values are 4.1 and 70 nM, respectively). Exhibits ~10-fold selectivity over gpIIb/IIIa. Increases endothelial monolayer permeability. Also exhibits antiangiogenic activity. Tocris Bioscience 5870

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 150.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

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