• Molecular NameEntacapone
  • SynonymEntacapona [INN-Spanish]; entacapone; Entacapone [Usan:Inn]; Entacaponum [INN-Latin]
  • Weight305.29
  • Drugbank_IDDB00494
  • ACS_NO130929-57-6
  • Show 3D model
  • LogP (experiment)N/A
  • LogP (predicted, AB/LogP v2.0)1.87
  • pka4.5
  • LogD (pH=7, predicted)0.84
  • Solubility (experiment)N/A
  • LogS (predicted, ACD/Labs)(ph=7)-0.76
  • LogSw (predicted, AB/LogsW2.0)1.17
  • Sw (mg/ml) (predicted, ACD/Labs)1.24
  • No.of HBond Donors2
  • No.of HBond Acceptors8
  • No.of Rotatable Bonds6
  • TPSA133.39
  • StatusFDA approved
  • AdministrationN/A
  • PharmacologyA drug that functions as a catechol-O-methyl transferase (COMT) inhibitor. It is used in the treatment of Parkinson's disease.
  • Absorption_valueN/A
  • Absorption (description)Entacapone is rapidly absorbed from the gastro-intestinal tract
  • Caco_2N/A
  • Bioavailability42.0
  • Protein binding98.0
  • Volume of distribution (VD)0.40 L/kg
  • Blood/Plasma Partitioning ratio (D_blood)N/A
  • MetabollsmUndergoes extensive first pass metabolism. Entacapone is converted to its (cis)-isomer, (Z)-entacapone, the main metabolite in plasma, followed by direct glucuronidation to inactive glucuronide conjugates. Four metabolites have been observed—M3, M6, M8 and M10.
  • Half life0.28 h
  • ExcretionElimination is mainly via faeces (80 to 90%) and the remainder in urine as glucuronide conjugates and (Z)-isomer.
  • Urinary ExcretionNegligible
  • Clerance10.3 ml/min/kg
  • ToxicityNo special hazard to humans, anaemia observed in repeated dose toxicity studies.
  • LD50 (rat)N/A
  • LD50 (mouse)N/A