Basic Information Experimental Physicochemical Property Pharmacokinetic/Toxicokinetic Property Maximum Dosage Drug Property Radar Chart

Basic Information

Drug ID DDPD00494 ...
Drug Name Entacapone
Molecular Weight 305.286
Molecular Formula C14H15N3O5
CAS Number 130929-57-6
SMILES CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N
External Links
DRUGBANK DB00494
T3DB T3D2808
PubChem Compound 5281081
PDR 420
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 2.8 - 2.8 - DRUGBANK

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Absorption 35.0 % 35.0 % PO, oral; DRUGBANK
Bioavailability 42.0 % 42±9 % PO, oral; Male, men; normal,healthy; The Pharmacological Basis of Therapeutics
C Max 4300.0 ng/ml 4.3±2.0 mcg/ml PO, oral; Male, men; normal,healthy; The Pharmacological Basis of Therapeutics
T Max 0.80 h 0.8±0.2 h PO, oral; Male, men; normal,healthy; The Pharmacological Basis of Therapeutics
Clearance 34.8 L/h 850.0 ml/min DRUGBANK
Clearance 0.62 L/h/kg 10.3±1.74 ml/min/kg Bile excretion; normal,healthy; Male, men; hepatopathy，LD → ;RD, renal impairment, Renal disease，including uremia → ; The Pharmacological Basis of Therapeutics
Clearance 0.72 L/h/kg 12 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 20.0 L 20.0 L DRUGBANK
Volume of Distribution 0.40 L/kg 0.40±0.16 L/kg Bile excretion; normal,healthy; Male, men; The Pharmacological Basis of Therapeutics
Volume of Distribution 0.27 L/kg 0.27 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 0.55 h 0.4-0.7 h DRUGBANK
Half-life 0.28 h 0.28±0.06 h distribution half-life; The Pharmacological Basis of Therapeutics
Half-life 2.9 h 2.9±2.0 h terminal half-life; The Pharmacological Basis of Therapeutics
Half-life 2.4 h 2.4 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Eliminate Route 10.0 % <10 % Urinary excretion; Unchanged drug; DRUGBANK
Eliminate Route 0 % ~0 % Urinary excretion; Male, men; normal,healthy; human, homo sapiens; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 98.0 % 98 % DRUGBANK
Protein Binding 98.0 % 98 % Male, men; normal,healthy; human, homo sapiens; The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for adults 1600.0 mg/day 1600 mg/day PO, oral Comtan entacapone PDR
Max dose for geriatric 1600.0 mg/day 1600 mg/day PO, oral Comtan entacapone PDR

Drug Property Radar Chart

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Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1