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

Basic Information

Drug ID DDPD00277 ...
Drug Name Theophylline
Molecular Weight 180.164
Molecular Formula C7H8N4O2
CAS Number 58-55-9
SMILES CN1C2=C(NC=N2)C(=O)N(C)C1=O
External Links
DRUGBANK DB00277
T3DB T3D4780
PubChem Compound 2153
PDR 1179
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Caco-2 Permeability -4.35 - -4.35 - ADME Research, USCD
Log P -0.02 - -0.02 - HANSCH,C ET AL. (1995)
Melting Point 273.0 ℃ 273 ℃ PhysProp
Water Solubility 7360.0 mg/L 7360 mg/L YALKOWSKY,SH & HE,Y 2003)
pKa 8.81 - 8.81 - KORTUM,G ET AL (1961)

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Absorption 100.0 % 100.0 % PO, oral; DRUGBANK
Bioavailability 96.0 % 96±8 % PO, oral; The Pharmacological Basis of Therapeutics
C Max 7900.0 ng/ml 7.9±0.6 mcg/ml PO, oral; Drug form; adults; normal,healthy; The Pharmacological Basis of Therapeutics
C Max 15000.0 ng/ml 15±2.8 mcg/ml PO, oral; Drug form; adults; normal,healthy; The Pharmacological Basis of Therapeutics
C Max 14000.0 ng/ml 14±3.7 mcg/ml PO, oral; Drug form; adults; normal,healthy; The Pharmacological Basis of Therapeutics
T Max 1.5 h ~1.5 h PO, oral; Drug form; adults; normal,healthy; The Pharmacological Basis of Therapeutics
T Max 11.5 h 11.5±7.5 h PO, oral; Drug form; adults; normal,healthy; The Pharmacological Basis of Therapeutics
T Max 11.3 h 11.3±4.8 h PO, oral; Drug form; adults; normal,healthy; The Pharmacological Basis of Therapeutics
Metabolic 6.0 % 6 % DRUGBANK
Clearance 0.0279 L/h/kg 0.29-0.64 ml/kg/min Prem, premature; Neonates; DRUGBANK
Clearance 0.0780 L/h/kg 0.9-1.7 ml/kg/min Children; DRUGBANK
Clearance 0.0390 L/h/kg 0.65 ml/kg/min adults; DRUGBANK
Clearance 0.0246 L/h/kg 0.41 ml/kg/min Elderly; normal,healthy; DRUGBANK
Clearance 0.0198 L/h/kg 0.33 ml/kg/min lung disease; DRUGBANK
Clearance 0.0324 L/h/kg 0.54 ml/kg/min Geriatric; COPD, Chronic obstructive pulmonary disease; DRUGBANK
Clearance 0.0288 L/h/kg 0.48 ml/kg/min COPD, Chronic obstructive pulmonary disease; CP,cor pulmonale; DRUGBANK
Clearance 0.0750 L/h/kg 1.25 ml/kg/min Cystic fibrosis; DRUGBANK
Clearance 0.0198 L/h/kg 0.31-0.35 ml/kg/min Hepatitis, Hep; DRUGBANK
Clearance 0.0390 L/h/kg 0.65 ml/kg/min cholestasis; DRUGBANK
Clearance 0.0282 L/h/kg 0.47 ml/kg/min Sepsis; multi-organ failure; DRUGBANK
Clearance 0.0228 L/h/kg 0.38 ml/kg/min LTh hypothyroid; DRUGBANK
Clearance 0.0480 L/h/kg 0.8 ml/kg/min hyperthyroid, HTh; DRUGBANK
Clearance 0.0390 L/h/kg 0.65±0.20 ml/min/kg Neonates ↓ ;Prem, premature ↓ ;Children ↑ ;Elderly → ;Preg, pregnant → ;Hepatic cirrhosis, cirr ↓ ;CP,cor pulmonale ↓ ;congestive heart disease ↓ ;Hepatitis, Hep ↓ ;LTh hypothyroid ↓ ;Obesity ↓ ;Cystic fibrosis ↑ ;hyperthyroid, HTh ↑ ;RD, renal impairment, Renal disease，including uremia → ;COPD, Chronic obstructive pulmonary disease → ;Somking ↑ ; The Pharmacological Basis of Therapeutics
Clearance 0.0516 L/h/kg 0.86 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 0.50 L/kg 0.3-0.7 L/kg DRUGBANK
Volume of Distribution 0.50 L/kg 0.50±0.16 L/kg Elderly → ;Preg, pregnant → ;Prem, premature ↑ ;Obesity ↓ ;Hepatic cirrhosis, cirr → ;RD, renal impairment, Renal disease，including uremia → ;hyperthyroid, HTh → ;LTh hypothyroid → ;Cystic fibrosis ↑ ; The Pharmacological Basis of Therapeutics
Volume of Distribution 0.51 L/kg 0.51 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 8.0 h 8 h DRUGBANK
Half-life 9.0 h 9.0±2.1 h Prem, premature ↑ ;Neonates ↑ ;Cystic fibrosis ↓ ;hyperthyroid, HTh ↓ ;Hepatic cirrhosis, cirr ↑ ;congestive heart disease ↑ ;Hepatitis, Hep ↑ ;CP,cor pulmonale ↑ ;LTh hypothyroid ↑ ;RD, renal impairment, Renal disease，including uremia → ;Somking ↓ ;Age → ;normal BMI ↓ ; The Pharmacological Basis of Therapeutics
Half-life 7.2 h 7.2 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Eliminate Route 50.0 % ~50 % Urinary excretion; Neonates; Unchanged drug; DRUGBANK
Eliminate Route 10.0 % ~10 % Urinary excretion; Infants; Unchanged drug; DRUGBANK
Eliminate Route 10.0 % ~10 % Urinary excretion; adults; Unchanged drug; DRUGBANK
Eliminate Route 18.0 % 18±3 % Urinary excretion; Unchanged drug; Neonates ↑ ;Prem, premature ↑ ;Elderly → ;Cystic fibrosis → ; The Pharmacological Basis of Therapeutics
Protein Binding 40.0 % 40 % DRUGBANK
Protein Binding 56.0 % 56±4 % Elderly ↓ ;Neonates ↓ ;Preg, pregnant ↓ ;Hepatic cirrhosis, cirr ↓ ;Obesity ↓ ;Cystic fibrosis → ; 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 16.0 mg/kg/day 16 mg/kg/day PO, oral Elixophyllin theophylline anhydrous PDR
Max dose for infants 400.0 mg/day 400 mg/day PO, oral Elixophyllin theophylline anhydrous PDR
Max dose for children 400.0 mg/day 400 mg/day PO, oral Elixophyllin theophylline anhydrous PDR
Max dose for children 16.0 mg/kg/day 16 mg/kg/day PO, oral Elixophyllin theophylline anhydrous PDR
Max dose for children 400.0 mg/day 400 mg/day PO, oral Elixophyllin theophylline anhydrous PDR
Max dose for adolescents 400.0 mg/day 400 mg/day PO, oral Elixophyllin theophylline anhydrous PDR
Max dose for geriatric 400.0 mg/day 400 mg/day PO, oral Elixophyllin theophylline anhydrous PDR
Max dose for geriatric 400.0 mg/day 400 mg/day PO, oral Elixophyllin theophylline anhydrous 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