ChemSpider 2D Image | pexidartinib | C20H15ClF3N5

pexidartinib

  • Molecular FormulaC20H15ClF3N5
  • Average mass417.815 Da
  • Monoisotopic mass417.096802 Da
  • ChemSpider ID35308322

More details:

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

1029044-16-3 [RN]
3-Pyridinemethanamine, N-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]-6-(trifluoromethyl)- [ACD/Index Name]
5-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
5-[(5-Chlor-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluormethyl)-3-pyridinyl]methyl}-2-pyridinamin [German] [ACD/IUPAC Name]
5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-2-pyridinamine [ACD/IUPAC Name]
5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)méthyl]-N-{[6-(trifluorométhyl)-3-pyridinyl]méthyl}-2-pyridinamine [French] [ACD/IUPAC Name]
pexidartinib [INN]
pexidartinib [Spanish] [INN]
pexidartinib [French] [INN]
pexidartinibum [Latin] [INN]
More...

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

6783M2LV5X [DBID]
PubChem Substance ID 329825761 [DBID]
UNII:6783M2LV5X [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      c-Kit inhibitor; FLT3 inhibitor TargetMol T2115

    • Chemical Class:

      A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi- targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynov ial giant cell tumor (TGCT). ChEBI CHEBI:145373

    • Bio Activity:

      c-Fms MedChem Express HY-16749
      c-Fms c-Kit MedChem Express HY-16749
      Kit;CSF-1R;FLT3 TargetMol T2115
      Pexidartinib(PLX-3397) is a small-molecule receptor tyrosine kinase (RTK) inhibitor of KIT, CSF1R and FLT3 with potential antineoplastic activity. MedChem Express
      Pexidartinib(PLX-3397) is a small-molecule receptor tyrosine kinase (RTK) inhibitor of KIT, CSF1R and FLT3 with potential antineoplastic activity.; IC50 value: 28/16 nM(Fms/Kit); Target: multikinase inhibitor; Multitargeted tyrosine kinase inhibitor PLX3397 binds to and inhibits phosphorylation of stem cell factor receptor (KIT), colony-stimulating factor-1 receptor (CSF1R) and FMS-like tyrosine kinase 3 (FLT3), which may result in the inhibition of tumor cell proliferation and down-modulation of macrophages, osteoclasts and mast cells involved in the osteolytic metastatic disease. MedChem Express HY-16749
      Pexidartinib(PLX-3397) is a small-molecule receptor tyrosine kinase (RTK) inhibitor of KIT, CSF1R and FLT3 with potential antineoplastic activity.;IC50 value: 28/16 nM(Fms/Kit);Target: multikinase inhibitorMultitargeted tyrosine kinase inhibitor PLX3397 binds to and inhibits phosphorylation of stem cell factor receptor (KIT), colony-stimulating factor-1 receptor (CSF1R) and FMS-like tyrosine kinase 3 (FLT3), which may result in the inhibition of tumor cell proliferation and down-modulation of macrophages, osteoclasts and mast cells involved in the osteolytic metastatic disease. FLT3, CSF1R and FLT3 are overexpressed or mutated in many cancer cell types and play major roles in tumor cell proliferation and metastasis. MedChem Express HY-16749
      Protein Tyrosine Kinase/RTK MedChem Express HY-16749
      Protein Tyrosine Kinase/RTK; MedChem Express HY-16749
      Tyrosine Kinase/Adaptors TargetMol T2115

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.6±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 573.67
ACD/KOC (pH 5.5): 2594.75
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1291.47
ACD/KOC (pH 7.4): 5841.48
Polar Surface Area: 66 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 286.6±3.0 cm3

Click to predict properties on the Chemicalize site


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