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

Basic Information

Drug ID DDPD00471 ...
Drug Name Montelukast
Molecular Weight 586.183
Molecular Formula C35H36ClNO3S
CAS Number 158966-92-8
SMILES OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
External Links
DRUGBANK DB00471
PubChem Compound 5281040
PDR 390
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 7.9 - 7.9 - DRUGBANK
Melting Point 135.5 ℃ 275.9 F msds
Water Solubility 100000.0 mg/L >100 mg/ml msds

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Bioavailability 64.0 % 64.0 % PO, oral; DRUGBANK
Bioavailability 62.0 % 62.0 % PO, oral; The Pharmacological Basis of Therapeutics
C Max 542.0 ng/ml 542±173 ng/ml Oral single dose; The Pharmacological Basis of Therapeutics
T Max 3.0 h 3.0±1.0 h Oral single dose; The Pharmacological Basis of Therapeutics
Clearance 2.7 L/h 45.0 ml/min Plasma clearance; DRUGBANK
Clearance 0.0420 L/h/kg 0.70±0.17 ml/min/kg normal,healthy; adults; Children → ;Hepatic cirrhosis, cirr ↓ ; The Pharmacological Basis of Therapeutics
Clearance 0.0408 L/h/kg 0.68 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 9.5 L 8.0-11 L Steady state volume of distribution; DRUGBANK
Volume of Distribution 0.15 L/kg 0.15±0.02 L/kg normal,healthy; adults; The Pharmacological Basis of Therapeutics
Volume of Distribution 0.15 L/kg 0.15 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 4.1 h 2.7-5.5 h elimination half-life; normal,healthy; young; adults; DRUGBANK
Half-life 4.9 h 4.9±0.6 h Hepatic cirrhosis, cirr ↑ ;mild hepatic impairment ↑ ;moderate hepatic impairment ↑ ;severe hepatic impairment ↑ ; The Pharmacological Basis of Therapeutics
Half-life 5.0 h 5 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 5000.0 mg/kg >5000 mg/kg PO, oral; mouse; Rattus, Rat; DRUGBANK
Eliminate Route 100.0 % ~100 % Faeces excretion; DRUGBANK
Eliminate Route 0.20 % <0.2 % Urinary excretion; adults; normal,healthy; human, homo sapiens; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 99.0 % >99 % plasma proteins; DRUGBANK
Protein Binding 99.0 % >99 % adults; 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 infants 4.0 mg/day 4 mg/day PO, oral Singulair montelukast sodium PDR
Max dose for children 5.0 mg/day 5 mg/day PO, oral Singulair montelukast sodium PDR
Max dose for children 4.0 mg/day 4 mg/day PO, oral Singulair montelukast sodium PDR
Max dose for adolescents 10.0 mg/day 10 mg/day PO, oral Singulair montelukast sodium PDR
Max dose for adolescents 5.0 mg/day 5 mg/day PO, oral Singulair montelukast sodium PDR
Max dose for adults 10.0 mg/day 10 mg/day PO, oral Singulair montelukast sodium PDR
Max dose for geriatric 10.0 mg/day 10 mg/day PO, oral Singulair montelukast sodium 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