ChemSpider 2D Image | LDN-193189 | C25H22N6

LDN-193189

  • Molecular FormulaC25H22N6
  • Average mass406.482 Da
  • Monoisotopic mass406.190582 Da
  • ChemSpider ID24715454

More details:

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

1062368-24-4 [RN]
4-[6-[4-(1-piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]Quinoline
4-{6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}chinolin [German] [ACD/IUPAC Name]
4-{6-[4-(1-Pipérazinyl)phényl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoléine [French] [ACD/IUPAC Name]
4-{6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline [ACD/IUPAC Name]
4-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline
LDN-193189
Quinoline, 4-[6-[4-(1-piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]- [ACD/Index Name]
[1062368-24-4] [RN]
1062368-24-4 (free base)
More...

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

W69H5YQU9O [DBID]
UNII:W69H5YQU9O [DBID]
UNII-W69H5YQU9O [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      TGF-beta/Smad inhibitor TargetMol T1935

    • Bio Activity:

      ALK MedChem Express HY-12071
      ALK2/3 TargetMol T1935
      LDN193189(DM 3189) is a selective BMP signaling inhibitor, inhibits the transcriptional activity of the BMP type I receptors ALK2 and ALK3 with IC50 of 5 nM and 30 nM, respectively, exhibits 200-fold selectivity for BMP versus TGF-?.; IC50 value: 5 nM/30 nM (ALK2/ALK3) [1]; Target: ALK2/3; in vitro: LDN193189 potently inhibits BMP4-mediated Smad1, Smad5 and Smad8 activation with IC50 of 5 nM, and efficiently inhibits transcriptional activity of the BMP type I receptors ALK2 and ALK3 with IC50 of 5 nM and 30 nM, respectively. MedChem Express HY-12071
      Protein Tyrosine Kinase/RTK MedChem Express HY-12071
      Protein Tyrosine Kinase/RTK; MedChem Express HY-12071
      Tyrosine Kinase/Adaptors TargetMol T1935

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: 1.740
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 46.46
Polar Surface Area: 58 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 304.1±7.0 cm3

Click to predict properties on the Chemicalize site


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