ChemSpider 2D Image | ML347 | C22H16N4O

ML347

  • Molecular FormulaC22H16N4O
  • Average mass352.389 Da
  • Monoisotopic mass352.132416 Da
  • ChemSpider ID24711502

More details:

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

1062368-49-3 [RN]
5-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]chinolin [German] [ACD/IUPAC Name]
5-[6-(4-Méthoxyphényl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoléine [French] [ACD/IUPAC Name]
5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-quinoline
5-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline [ACD/IUPAC Name]
LDN-193719
MFCD28099805
ML347
ML-347
Quinoline, 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]- [ACD/Index Name]
More...

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

CCRIS 4693 [DBID]
UN1544 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      TGF-beta/Smad inhibitor TargetMol T1943

    • Bio Activity:

      ALK MedChem Express HY-12274
      ALK1/ALK2 TargetMol T1943
      BMP and Other Activin Receptors Tocris Bioscience 4945
      Enzyme-Linked Receptors Tocris Bioscience 4945
      ML347(DN193719) is a highly selective ALK1/ALK2 inhibitor with IC50s of 46/32 nM; shows MedChem Express http://www.medchemexpress.com/fr-180204.html
      ML347(DN193719) is a highly selective ALK1/ALK2 inhibitor with IC50s of 46/32 nM; shows >300-fold selectivity for ALK2 vs. MedChem Express HY-12274
      ML347(DN193719) is a highly selective ALK1/ALK2 inhibitor with IC50s of 46/32 nM; shows >300-fold selectivity for ALK2 vs. ALK3.;IC50 value:;Target: ALK1/ALK2ML347 has IC50?s of 46 and 32 nM, respectively, against ALK1 and ALK2; however, the IC50 against ALK3 is 10,800 nM, >300-fold selective over ALK3. ML347 is completely inactive against all;The other kinases tested (with weak activity against ALK6, 9830 nM and KDR (VEGFR2)19,700 nM). ML347 is potent in the BMP4 cell assay (152 nM). MedChem Express HY-12274
      Potent and selective ALK1 and ALK2 inhibitor Tocris Bioscience 4945
      Potent and selective ALK2 and ALK1 inhibitor (IC50 values are 32 and 46 nM, respectively); displays >200 fold selectivity over ALK3 and ALK6 and >400 fold selectivity over VEGF2. Exhibits no activity at ALK4, ALK5 or in a panel of related kinases. Inhibits BMP4 signaling in a functional assay (IC50 = 152 nM). Tocris Bioscience 4945
      Potent and selective ALK2 and ALK1 inhibitor (IC50 values are 32 and 46 nM, respectively); displays >200 fold selectivity over ALK3 and ALK6 and >400 fold selectivity over VEGF2. Exhibits no activity at ALK4, ALK5 or in a panel of related kinases. Inhibits BMP4 signaling in a functional assay (IC50 = 152 nM). Tocris Bioscience 4945
      Protein Tyrosine Kinase/RTK MedChem Express HY-12274
      Protein Tyrosine Kinase/RTK; MedChem Express HY-12274
      Receptor Serine/Threonine Kinases (RSTKs) Tocris Bioscience 4945
      Tyrosine Kinase/Adaptors TargetMol T1943

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 146.34
ACD/KOC (pH 5.5): 1221.63
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.88
ACD/KOC (pH 7.4): 1267.85
Polar Surface Area: 52 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 274.6±7.0 cm3

Click to predict properties on the Chemicalize site


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