• Molecular NameAprepitant
  • Synonymaprepitant; MK-0517; MK-869
  • Weight534.432
  • Drugbank_IDDB00673
  • ACS_NO170729-80-3
  • Show 3D model
  • LogP (experiment)5.535
  • LogP (predicted, AB/LogP v2.0)2.84
  • pkaN/A
  • LogD (pH=7, predicted)2.84
  • Solubility (experiment)Insoluble
  • LogS (predicted, ACD/Labs)(ph=7)-6.26
  • LogSw (predicted, AB/LogsW2.0)0.03
  • Sw (mg/ml) (predicted, ACD/Labs)0.0
  • No.of HBond Donors2
  • No.of HBond Acceptors7
  • No.of Rotatable Bonds8
  • TPSA75.19
  • StatusFDA approved
  • AdministrationN/A
  • PharmacologyAn antiemetic chemical compound that belongs to a class of drugs called substance P antagonists (SPA) for prevention of postoperative nausea and vomiting.. It mediates its effect by blocking the neurokinin 1 (NK1) receptor.
  • Absorption_valueN/A
  • Absorption (description)N/A
  • Caco_2N/A
  • Bioavailability62.5
  • Protein binding95.0
  • Volume of distribution (VD)1.0 L/kg
  • Blood/Plasma Partitioning ratio (D_blood)N/A
  • MetabollsmHepatic (mostly CYP3A4- mediated)
  • Half life9~13 h
  • ExcretionN/A
  • Urinary ExcretionNegligible
  • Clerance0.89~1.29 ml/min/kg
  • ToxicityN/A
  • LD50 (rat)N/A
  • LD50 (mouse)N/A