ChemSpider 2D Image | GSK1070916 | C30H33N7O

GSK1070916

  • Molecular FormulaC30H33N7O
  • Average mass507.629 Da
  • Monoisotopic mass507.274658 Da
  • ChemSpider ID24679071

More details:

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

1-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-3,3-dimethylurea
1-{4-[4-(2-{3-[(DIMETHYLAMINO)METHYL]PHENYL}-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-1-ETHYLPYRAZOL-3-YL]PHENYL}-3,3-DIMETHYLUREA
3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea
3-{4-[4-(2-{3-[(Dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
3-{4-[4-(2-{3-[(Dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-1,1-dimethylurea [ACD/IUPAC Name]
3-{4-[4-(2-{3-[(Diméthylamino)méthyl]phényl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-éthyl-1H-pyrazol-3-yl]phényl}-1,1-diméthylurée [French] [ACD/IUPAC Name]
942918-07-2 [RN]
GSK1070916
GSK-1070916
GSK-1070916A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8VLB51V7HO [DBID]
UNII:8VLB51V7HO [DBID]
UNII-8VLB51V7HO [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Aurora Kinase MedChem Express HY-70044
      Cell Cycle/DNA Damage MedChem Express HY-70044
      Cell Cycle/DNA Damage; MedChem Express HY-70044
      GSK1070916 is a reversible and ATP-competitive inhibitor of Aurora B/C with IC50 of 3.5 nM/6.5 nM; displays MedChem Express http://www.medchemexpress.com/alosetron-_z_-2-butenedioate.html
      GSK1070916 is a reversible and ATP-competitive inhibitor of Aurora B/C with IC50 of 3.5 nM/6.5 nM; displays >100-fold selectivity against the closely related Aurora A-TPX2 complex(IC50=490 nM).; IC50 Value: 3.5 nM(Aurora B); 6.5 nM(Aurora C); Target: Aurora B/C; in vitro: GSK1070916 selectively inhibits Aurora B and Aurora C with Ki of 0.38 nM and 1.5 nM over Aurora A with Ki of 490 nM. MedChem Express HY-70044
      GSK1070916 is a reversible and ATP-competitive inhibitor of Aurora B/C with IC50 of 3.5 nM/6.5 nM; displays >100-fold selectivity against the closely related Aurora A-TPX2 complex(IC50=490 nM).;IC50 Value: 3.5 nM(Aurora B); 6.5 nM(Aurora C);Target: Aurora B/C;In vitro: GSK1070916 selectively inhibits Aurora B and Aurora C with Ki of 0.38 nM and 1.5 nM over Aurora A with Ki of 490 nM. Inhibition of Aurora B and Aurora C is time-dependent, with an enzyme-inhibitor dissociation half-life of >480 min and 270 min respectively. In addition, GSK1070916 is also a competitive inhibitor with respect to ATP. Human tumor cells treated with GSK1070916 shows dose-dependent inhibition of phosphorylation on serine 10 of Histone H3, a substrate specific for Aurora B. Moreover, GSK1070916 inhibits the proliferation of tumor cells with EC50 values of <10 nM in over 100 cell lines spanning a broad range of tumor types, with a median EC50 of 8 nM. Although GSK1070916 has potent activity against prolife MedChem Express HY-70044

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 7.65
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 51.65
ACD/KOC (pH 7.4): 234.32
Polar Surface Area: 82 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 416.4±7.0 cm3

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