ChemSpider 2D Image | Fruquintinib | C21H19N3O5


  • Molecular FormulaC21H19N3O5
  • Average mass393.393 Da
  • Monoisotopic mass393.132477 Da
  • ChemSpider ID39625837

More details:

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

1194506-26-7 [RN]
3-Benzofurancarboxamide, 6-[(6,7-dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl- [ACD/Index Name]
6-[(6,7-Dimethoxy-4-chinazolinyl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamid [German] [ACD/IUPAC Name]
6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide [ACD/IUPAC Name]
6-[(6,7-Diméthoxy-4-quinazolinyl)oxy]-N,2-diméthyl-1-benzofurane-3-carboxamide [French] [ACD/IUPAC Name]
fruquintinib [Spanish] [INN]
fruquintinib [French] [INN]
Fruquintinib [INN]
fruquintinibum [Latin] [INN]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      VEGFR inhibitor TargetMol T2656
    • Bio Activity:

      Fruquintinib (HMPL-013) inhibits VEGFR family member (VEGFR1, 2, 3) with IC50s of 33 nM, 35 nM and 0.5 nM, respectively with weak inhibition of RET, FGFR-1 and c-kit kinases. ;IC50 value: 33/35/ 0.5 nM (VEGFR1/2/3);Target: VEGFR;In vitro: Fruquintinib (HMPL-013) is a potent and highly selective small molecule inhibitor of VEGFR 1, 2, 3 tyrosine kinases for cancer therapy. Fruquintinib inhibits VEGFR2 (KDR) with an IC50 of 25 nM in the Z-lyte assay. Fruquintinib suppresses VEGF/VEGFR signaling and cell proliferation in HUVECs and HLECs. Fruquintinib inhibits tubule sprouting and prevents angiogenesis. [1];In vivo: Fruquintinib potently inhibits VEGF induced KDR phosphorylation in lung tissue of mouse. Fruquintinib inhibits tumor growth in multiple human xenograft models. [1] MedChem Express HY-19912
      Protein Tyrosine Kinase/RTK; MedChem Express HY-19912
      Tyrosine Kinase/Adaptors TargetMol T2656
      VEGFR MedChem Express HY-19912
      VEGFR TargetMol T2656

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.0±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.80
ACD/KOC (pH 5.5): 554.16
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.83
ACD/KOC (pH 7.4): 554.56
Polar Surface Area: 96 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 302.1±3.0 cm3

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