ChemSpider 2D Image | GSK1838705A | C27H29FN8O3

GSK1838705A

  • Molecular FormulaC27H29FN8O3
  • Average mass532.569 Da
  • Monoisotopic mass532.234680 Da
  • ChemSpider ID24692687

More details:

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

1116235-97-2 [RN]
2-[(2-{[1-(N,N-Dimethylglycyl)-5-methoxy-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluor-N-methylbenzamid [German] [ACD/IUPAC Name]
2-[(2-{[1-(N,N-Dimethylglycyl)-5-methoxy-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide [ACD/IUPAC Name]
2-[(2-{[1-(N,N-Diméthylglycyl)-5-méthoxy-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-méthylbenzamide [French] [ACD/IUPAC Name]
2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide
2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydroindol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide
Benzamide, 2-[[2-[[1-[2-(dimethylamino)acetyl]-2,3-dihydro-5-methoxy-1H-indol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methyl- [ACD/Index Name]
GSK1838705A
GSK-1838705A
[1116235-97-2] [RN]
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from GlaxoSmithKline. Tocris Bioscience 5111

    • Target Organs:

      TGF-beta/Smad inhibitor; IGF-1R inhibitor TargetMol T3079

    • Bio Activity:

      ALK MedChem Express HY-13020
      ALK IGF-1R Insulin Receptor MedChem Express HY-13020
      ALK/insulin receptor/IGF-1R/RSK1 TargetMol T3079
      Enzyme-Linked Receptors Tocris Bioscience 5111
      GSK1838705A is a potent small-molecule IGF-IR, the insulin receptor and anaplastic lymphoma kinase (ALK) inhibitor with IC50 of 2.0, 1.6 and 0.5 nM, respectively. MedChem Express http://www.medchemexpress.com/DCC-2036.html, HY-13020
      Insulin and insulin-like Receptors Tocris Bioscience 5111
      Potent insulin receptor (IR) and insulin-like growth factor-1 receptor (IGF1R) inhibitor (IC50 values are 1.6 and 2 nM, respectively). Also inhibits anaplastic lymphoma kinase (ALK) (IC50 = 0.5 nM). D isplays > 800-fold selectivity for IR, IGFR1 and ALK over a panel of 44 kinases including JNK. Blocks proliferation of cancer cell lines in vitro, and causes complete regression of ALK-dependent tumor s in vivo. Orally bioavailable. Tocris Bioscience 5111
      Potent insulin receptor (IR) and insulin-like growth factor-1 receptor (IGF1R) inhibitor (IC50 values are 1.6 and 2 nM, respectively). Also inhibits anaplastic lymphoma kinase (ALK) (IC50 = 0.5 nM). Displays > 800-fold selectivity for IR, IGFR1 and ALK over a panel of 44 kinases including JNK. Blocks proliferation of cancer cell lines in vitro, and causes complete regression of ALK-dependent tumors in vivo. Orally bioavailable. Tocris Bioscience 5111
      Potent IR and IGF1R inhibitor; also inhibits anaplastic lymphoma kinase (ALK) Tocris Bioscience 5111
      Protein Tyrosine Kinase/RTK MedChem Express HY-13020
      Protein Tyrosine Kinase/RTK; MedChem Express HY-13020
      Receptor Tyrosine Kinases (RTKs) Tocris Bioscience 5111
      Tyrosine Kinase/Adaptors TargetMol T3079

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 8.98
ACD/KOC (pH 7.4): 129.51
Polar Surface Area: 128 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 380.6±3.0 cm3

Click to predict properties on the Chemicalize site


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