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ChemSpider 2D Image | OTS-167 | C25H28Cl2N4O2


  • Molecular FormulaC25H28Cl2N4O2
  • Average mass487.421 Da
  • Monoisotopic mass486.158936 Da
  • ChemSpider ID32501970
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[6-(3,5-Dichlor-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanon [German] [ACD/IUPAC Name]
1-[6-(3,5-Dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone [ACD/IUPAC Name]
1-[6-(3,5-Dichloro-4-hydroxyphényl)-4-({trans-4-[(diméthylamino)méthyl]cyclohexyl}amino)-1,5-naphtyridin-3-yl]éthanone [French] [ACD/IUPAC Name]
1431697-89-0 [RN]
Ethanone, 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[trans-4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]- [ACD/Index Name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      MELK MedChem Express HY-15512
      OTSSP167 is a highly potent MELK inhibitor (IC50 = 0.41 nM) and inhibited the phosphorylation of PSMA1 (proteasome subunit alpha type 1) and DBNL (drebrin-like). MedChem Express, HY-15512
      OTSSP167 is a highly potent MELK inhibitor (IC50 = 0.41 nM) and inhibited the phosphorylation of PSMA1 (proteasome subunit alpha type 1) and DBNL (drebrin-like). ;IC50 value: 0.41 nM;Target: MELKMELK (maternal embryonic leucine zipper kinase) is a novel therapeutic target for breast cancer and also reported to be highly upregulated in multiple types of human cancer. MELK inhibitor OTSSP167 should be a promising compound possibly to suppress the growth of tumor-initiating cells and be applied for treatment of a wide range of human cancer. MedChem Express HY-15512
      PI3K/Akt/mTOR MedChem Express HY-15512
      PI3K/Akt/mTOR ; MedChem Express HY-15512

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 328.2±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 33.02
ACD/KOC (pH 5.5): 73.75
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 49.86
ACD/KOC (pH 7.4): 111.37
Polar Surface Area: 78 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 372.4±3.0 cm3

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