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

Basic Information

Drug ID DDPD00563 ...
Drug Name Methotrexate
Molecular Weight 454.4393
Molecular Formula C20H22N8O5
CAS Number 59-05-2
SMILES CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
External Links
DRUGBANK DB00563
T3DB T3D2486
PubChem Compound 126941
PDR 1797
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Caco-2 Permeability -5.92 - -5.92 - ADME Research, USCD
Log P -1.85 - -1.85 - HANSCH,C ET AL. (1995)
Melting Point 195.0 ℃ 195 ℃ http://www.chemspider.com/Chemical-Structure.112728.html?rid=5b5d388b-5afb-4024-803b-99539fa66a77
pKa 4.7 - 4.7 - SANGSTER (1994)

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Bioavailability 77.0 % 64-90 % DRUGBANK
Bioavailability 70.0 % 70±27 % PO, oral; The Pharmacological Basis of Therapeutics
Bioavailability 20.0 % 20 % PO, oral; The Pharmacological Basis of Therapeutics
C Max 499883.2 ng/ml 1.1±0.2 mM subcutaneous injection, SC; patients; The Pharmacological Basis of Therapeutics
C Max 30901872.4 ng/ml 37-99 mM intravenous injection, IV; The Pharmacological Basis of Therapeutics
T Max 1.5 h 1-2 h DRUGBANK
T Max 0.90 h 0.9±0.2 h subcutaneous injection, SC; patients; The Pharmacological Basis of Therapeutics
Clearance 0.13 L/h/kg 2.1±0.8 ml/min/kg Children ↑ ;Children → ;RD, renal impairment, Renal disease，including uremia ↓ ;rheumatoid arthritis → ; The Pharmacological Basis of Therapeutics
Clearance 0.13 L/h/kg 2.1 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 1.0 L/kg 1.0 L/kg Steady state volume of distribution; DRUGBANK
Volume of Distribution 0.55 L/kg 0.55±0.19 L/kg Children → ; The Pharmacological Basis of Therapeutics
Volume of Distribution 0.43 L/kg 0.43 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 6.5 h 3-10 h adults; increasing doses; DRUGBANK
Half-life 11.5 h 8-15 h adults; increasing doses; DRUGBANK
Half-life 3.3 h 0.7-5.8 h terminal half-life; Acute leukaemia; Children; patients; DRUGBANK
Half-life 1.6 h 0.9-2.3 h juvenile idiopathic arthritis; Children; gastroesophageal reflux disease; DRUGBANK
Half-life 7.2 h 7.2±2.1 h rheumatoid arthritis → ; The Pharmacological Basis of Therapeutics
Half-life 2.0 h 2 h distribution half-life; The Pharmacological Basis of Therapeutics
Half-life 52.0 h 52 h terminal half-life; The Pharmacological Basis of Therapeutics
Half-life 3.9 h 3.9 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 135.0 mg/kg 135.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity LD50 146.0 mg/kg 146.0 mg/kg PO, oral; mouse; DRUGBANK
Toxicity LD50 43.0 mg/kg 43.0 mg/kg PO, oral; Rattus, Rat; T3DB
Eliminate Route 80.0 % >80 % Unchanged drug; DRUGBANK
Eliminate Route 81.0 % 81±9 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 50.3 % 46.5-54 % plasma proteins; DRUGBANK
Protein Binding 46.0 % 46±11 % The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for children 4.28571428 mg/day 30 mg/week PO, oral Methotrexate Tablets methotrexate PDR
Max dose for children 2.85714285 mg/day 20 mg/week PO, oral Methotrexate Tablets methotrexate PDR
Max dose for children 15.0 mg 15 mg Methotrexate Tablets methotrexate PDR
Max dose for children 30.0 mg/m2 30 mg/m2 Methotrexate Tablets methotrexate PDR
Max dose for children 490.0 mg/m2 490 mg/m2 intravenous injection, IV Methotrexate Tablets methotrexate PDR
Max dose for children 1950.0 mg/m2 1950 mg/m2 intravenous injection, IV Methotrexate Tablets methotrexate PDR
Max dose for elderly 4.28571428571429 mg/day 30 mg/week PO, oral Methotrexate Tablets methotrexate PDR
Max dose for elderly 2.85714285714286 mg/day 20 mg/week PO, oral Methotrexate Tablets methotrexate PDR
Max dose for elderly 15.0 mg 15 mg Methotrexate Tablets methotrexate PDR
Max dose for elderly 30.0 mg/m2 30 mg/m2 Methotrexate Tablets methotrexate PDR
Max dose for elderly 490.0 mg/m2 490 mg/m2 intravenous injection, IV Methotrexate Tablets methotrexate PDR
Max dose for elderly 1950.0 mg/m2 1950 mg/m2 intravenous injection, IV Methotrexate Tablets methotrexate 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