• Molecular NameTolcapone
  • SynonymNA
  • Weight273.244
  • Drugbank_IDDB00323
  • ACS_NO134308-13-7
  • Show 3D model
  • LogP (experiment)N/A
  • LogP (predicted, AB/LogP v2.0)2.99
  • pkaN/A
  • LogD (pH=7, predicted)0.77
  • Solubility (experiment)N/A
  • LogS (predicted, ACD/Labs)(ph=7)-1.96
  • LogSw (predicted, AB/LogsW2.0)0.4
  • Sw (mg/ml) (predicted, ACD/Labs)0.05
  • No.of HBond Donors2
  • No.of HBond Acceptors6
  • No.of Rotatable Bonds3
  • TPSA106.36
  • StatusFDA approved
  • AdministrationN/A
  • PharmacologyA drug that inhibits the enzyme catechol-O-methyl transferase (COMT).
  • Absorption_valueN/A
  • Absorption (description)Rapidly absorbed (absolute bioavailability is about 65%)
  • Caco_2N/A
  • Bioavailability62.0
  • Protein binding99.9
  • Volume of distribution (VD)0.12 L/kg
  • Blood/Plasma Partitioning ratio (D_blood)N/A
  • MetabollsmThe main metabolic pathway of tolcapone is glucuronidation
  • Half life2~3.5 h
  • ExcretionN/A
  • Urinary ExcretionN/A
  • CleranceN/A
  • ToxicityN/A
  • LD50 (rat)LD50=1600 mg/kg
  • LD50 (mouse)N/A