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

Basic Information

Drug ID DDPD01033 ...
Drug Name Mercaptopurine
Molecular Weight 152.177
Molecular Formula C5H4N4S
CAS Number 50-44-2
SMILES S=C1N=CNC2=C1NC=N2
External Links
DRUGBANK DB01033
PubChem Compound 667490
PDR 3496
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 0.01 - 0.01 - HANSCH,C & LEO,AJ (1985)
Melting Point 313.0 ℃ 313 ℃ PhysProp
Water Solubility 68500.0 mg/L 68500 mg/L YALKOWSKY,SH & DANNENFELSER,RM 1992)

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
Absorption 50.0 % 50 % PO, oral; DRUGBANK
Bioavailability 12.0 % 12±7 % PO, oral; The Pharmacological Basis of Therapeutics
Bioavailability 60.0 % 60 % combination drug use; The Pharmacological Basis of Therapeutics
C Max 112611.0 ng/ml 0.74±0.28 mM combination drug use; Children; tumor; The Pharmacological Basis of Therapeutics
C Max 563054.9 ng/ml 3.7±0.6 mM combination drug use; Children; tumor; The Pharmacological Basis of Therapeutics
C Max 1050021.3 ng/ml 6.9 mM Children; tumor; The Pharmacological Basis of Therapeutics
T Max 2.4 h 2.4±0.4 h combination drug use; Children; tumor; The Pharmacological Basis of Therapeutics
T Max 2.8 h 2.8±0.4 h combination drug use; Children; tumor; The Pharmacological Basis of Therapeutics
Clearance 0.66 L/h/kg 11±4 ml/min/kg The Pharmacological Basis of Therapeutics
Clearance 0.90 L/h/kg 15 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 0.56 L/kg 0.56±0.38 L/kg The Pharmacological Basis of Therapeutics
Volume of Distribution 1.0 L/kg 1 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 0.75 h 45 min distribution half-life; DRUGBANK
Half-life 2.5 h 2.5 h elimination half-life; DRUGBANK
Half-life 9.0 h 6-12 h terminal half-life; DRUGBANK
Half-life 0.90 h 0.9±0.37 h The Pharmacological Basis of Therapeutics
Half-life 1.0 h 1 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 480.0 mg/kg 480.0 mg/kg PO, oral; mouse; DRUGBANK
Toxicity LD50 425.0 mg/kg 425.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Eliminate Route 22.0 % 22±12 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 19.0 % 19 % plasma proteins; DRUGBANK
Protein Binding 19.0 % 19 % The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for infants 2.5 mg/kg/day 2.5 mg/kg/day PO, oral Purixan mercaptopurine PDR
Max dose for infants 75.0 mg/m2/day 75 mg/m2/day PO, oral Purixan mercaptopurine PDR
Max dose for children 2.5 mg/kg/day 2.5 mg/kg/day PO, oral Purixan mercaptopurine PDR
Max dose for children 75.0 mg/m2/day 75 mg/m2/day PO, oral Purixan mercaptopurine PDR
Max dose for adolescents 2.5 mg/kg/day 2.5 mg/kg/day PO, oral Purixan mercaptopurine PDR
Max dose for adolescents 75.0 mg/m2/day 75 mg/m2/day PO, oral Purixan mercaptopurine PDR
Max dose for adults 2.5 mg/kg/day 2.5 mg/kg/day PO, oral Purixan mercaptopurine PDR
Max dose for adults 75.0 mg/m2/day 75 mg/m2/day PO, oral Purixan mercaptopurine PDR
Max dose for geriatric 2.5 mg/kg/day 2.5 mg/kg/day PO, oral Purixan mercaptopurine PDR
Max dose for geriatric 75.0 mg/m2/day 75 mg/m2/day PO, oral Purixan mercaptopurine 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