modelCaffeine
Extends from Pharmacolibrary.Drugs.ATC.N.N06BC01.
Information
| name: | Caffeine | |
| ATC code: | N06BC01 | route: | oral |
| compartments: | 1 | |
| dosage: | 200 | mg |
| volume of distribution: | 0.61 | L |
| clearance: | 0.097 | L/hr/kg |
| other parameters in model implementation | ||
Caffeine is a central nervous system stimulant belonging to the methylxanthine class. It is widely consumed in beverages such as coffee, tea, and soft drinks and is used medically to treat apnea of prematurity in neonates. It is an approved drug and also used as a psychoactive substance for reducing fatigue and improving mental alertness.
Pharmacokinetics
Pharmacokinetic parameters reported for healthy adult subjects after single oral administration of 200 mg caffeine.
References
Seng, KY, et al., & Lim, CL (2009). Population pharmacokinetics of caffeine in healthy male adults using mixed-effects models. Journal of clinical pharmacy and therapeutics 34(1) 103–114. DOI:10.1111/j.1365-2710.2008.00976.x PUBMED:https://pubmed.ncbi.nlm.nih.gov/19125908
Cornelis, MC, et al., & Chasman, DI (2015). Genome-wide meta-analysis identifies six novel loci associated with habitual coffee consumption. Molecular psychiatry 20(5) 647–656. DOI:10.1038/mp.2014.107 PUBMED:https://pubmed.ncbi.nlm.nih.gov/25288136
Zandvliet, AS, et al., & Beijnen, JH (2005). Population pharmacokinetics of caffeine and its metabolites theobromine, paraxanthine and theophylline after inhalation in combination with diacetylmorphine. Basic & clinical pharmacology & toxicology 96(1) 71–79. DOI:10.1111/j.1742-7843.2005.pto960111.x PUBMED:https://pubmed.ncbi.nlm.nih.gov/15667599
Parameters
| Type | Name | Default | Description |
|---|---|---|---|
| Modelica.Units.SI.Mass | weight (from PK_1C) | 75 | patient weight (kg) |
| Modelica.Units.SI.SpecificVolume | VdPerKg (from PK_1C) | 0.9 | Volume of distribution (L/kg) |
| Modelica.Units.SI.MassFraction | F (from PK_1C) | 0.8 | bioavailiability (0-1) |
| Pharmacolibrary.Types.Clearance | Cl (from PK_1C) | 20 | clearance |
| Modelica.Units.SI.Time | adminTime (from PK_1C) | 60 | first administration time (s) |
| Modelica.Units.SI.Time | adminDuration (from PK_1C) | 600 | administration duration (s) |
| Modelica.Units.SI.Time | adminPeriod (from PK_1C) | 8*60*60 | period of administration (default 8 hours)(s) |
| Pharmacolibrary.Types.Mass | adminMass (from PK_1C) | 1000 | administration mass (mg) |
| Integer | adminCount (from PK_1C) | 8 | number of dose administered (1) |
| Pharmacolibrary.Types.Volume | Vd (from PK_1C) | VdPerKg*weight | Volume of distribution (m3) |
| Pharmacolibrary.Types.MassConcentration | Cmin (from PK_1C) | 0.004 | minimal therapeutic range |
| Pharmacolibrary.Types.MassConcentration | Cmax (from PK_1C) | 0.008 | minimal therapeutic range |
| Pharmacolibrary.Types.MassConcentration | Ctox_peak (from PK_1C) | 0.012 | toxicity peak level |
| Pharmacolibrary.Types.MassConcentration | Ctox_trough (from PK_1C) | 0.006 | toxicity trough level |
| Pharmacolibrary.Types.TransferRate | ka (from PK_1C_enteral) | 0.016666666666666666 | first order absorption rate |
| Modelica.Units.SI.Time | Tlag (from PK_1C_enteral) | 600 | delay between oral administration and absorption (default 10min) |
Connectors
| Type | Name | Default | Description |
|---|---|---|---|
| Types.ConcentrationOutput | C_central (from PK_1C) | ||
| Interfaces.ConcentrationPort_b | centralCPort (from PK_1C) |
Components
| Type | Name | Default | Description |
|---|---|---|---|
| Pharmacokinetic.NoPerfusedTissueCompartment | central (from PK_1C) | ||
| Pharmacokinetic.ClearanceDrivenElimination | elim (from PK_1C) | ||
| Sources.PeriodicDose | periodicDose (from PK_1C) | ||
| Modelica.Units.SI.Time | t1_2 (from PK_1C) | elimination half-life |
Revisions
- 06/2025 Tomas Kulhanek, generated model from data extracted from PUBMED, DrugBank and LLM(GPT4.1)