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

Basic Information

Drug ID DDPD00673 ...
Drug Name Aprepitant
Molecular Weight 534.4267
Molecular Formula C23H21F7N4O3
CAS Number 170729-80-3
SMILES C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
External Links
DRUGBANK DB00673
PubChem Compound 6918365
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 4.5 - 4.5 - DRUGBANK

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
Bioavailability 62.5 % 60-65 % DRUGBANK
Bioavailability 62.5 % 60-65 % PO, oral; The Pharmacological Basis of Therapeutics
C Max 1600.0 ng/ml 1.6 mcg/ml Oral single dose; The Pharmacological Basis of Therapeutics
T Max 4.0 h 4.0 h Oral single dose; The Pharmacological Basis of Therapeutics
Clearance 4.6 L/h 62-90 ml/min Plasma clearance; DRUGBANK
Clearance 0.0654 L/h/kg 0.89-1.29 ml/min/kg hydrolysis; The Pharmacological Basis of Therapeutics
Clearance 0.0600 L/h/kg 1 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 70.0 L 70.0 L DRUGBANK
Volume of Distribution 1.0 L/kg 1.0 L/kg hydrolysis; The Pharmacological Basis of Therapeutics
Volume of Distribution 0.94 L/kg 0.94 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 11.0 h 9-13 h DRUGBANK
Half-life 11.0 h 9-13 h The Pharmacological Basis of Therapeutics
Half-life 13.0 h 13 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Eliminate Route 0 % ~0 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 95.0 % >95 % DRUGBANK
Protein Binding 95.0 % >95 % The Pharmacological Basis of Therapeutics

Maximum Dosage

Not Available

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