Basic Information

Drug ID DDPD11757 ...
Drug Name Istradefylline
Molecular Weight 384.436
Molecular Formula C20H24N4O4
CAS Number 155270-99-8
SMILES [H]\C(=C(\[H])C1=CC(OC)=C(OC)C=C1)C1=NC2=C(N1C)C(=O)N(CC)C(=O)N2CC
External Links
DRUGBANK DB11757
PubChem Compound 5311037

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Boiling Point 601.0 601 DRUGBANK
Melting Point 191.0 189-193 DRUGBANK
Water Solubility 0.5 mg/L 0.5 μg/ml DRUGBANK
pKa 0.78 - 0.78 - FDA Label

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
AUC 11100.0 ng.h/ml 11100.0 ng.h/ml DRUGBANK
AUC 610.0 ng.h/ml 610.0 ng.h/ml Active metabolite; DRUGBANK
C Max 181.1 ng/ml 181.1 ng/ml DRUGBANK
C Max 4.3 ng/ml 4.34 ng/ml Active metabolite; DRUGBANK
C Max 12.6 ng/ml 12.6 ng/ml Active metabolite; DRUGBANK
T Max 2.0 h 2 h DRUGBANK
T Max 3.5 h 3.5 h Active metabolite; DRUGBANK
T Max 3.0 h 3 h Active metabolite; DRUGBANK
Clearance 5.1 L/h 4.1-6 L/h apparent clearance; DRUGBANK
Volume of Distribution 502.5 L 448-557 L Apparent volume of distribution; DRUGBANK
Half-life 66.5 h 64-69 h elimination half-life; DRUGBANK
Toxicity LD50 300.0 mg/kg >300 mg/kg PO, oral; mouse; DRUGBANK
Eliminate Route 17.6 % 17.6 % Urinary excretion; PO, oral; Male, men; Rattus, Rat; DRUGBANK
Eliminate Route 68.3 % 68.3 % Faeces excretion; PO, oral; Male, men; Rattus, Rat; DRUGBANK
Eliminate Route 1.6 % 1.62 % Faeces excretion; PO, oral; Male, men; Rattus, Rat; Unchanged drug; DRUGBANK
Protein Binding 98.0 % ~98 % plasma proteins; DRUGBANK

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