Search the PBPK Model Repository

Quickly find freely available drug and population models in our PBPK model repository.

The models provided have been collated from published examples which authors have shared in our Published Model Collection or developed as part of various global health projects in our Global Health Collection. This search facility searches both model collections simultaneously.

To contribute published user compound and/or population files, upload your files here: Upload Model Files

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Found 128 Matches

ValproicAcid_V21R1_NationalTaiwanUniversity_20231012

Model Files Publication

Three compound files for adults and 3 files for paediatrics are available for the parent compounds, Valproic Acid, reflecting the inputs required for EC tablets, tablets, and capsules, respectively. A compound file for the metabolite, 4-ene-Valproid Acid is available too. Details on the model assumptions and verification in V21R1 are available in the corresponding reference (DOI: 10.1002/psp4.13045) and supplement material on the journal (CPT: Pharmacometrics & Systems Pharmacology) website.

Physiologically based mechanistic insight into differential risk of valproate hepatotoxicity between children and adults: A focus on ontogeny impact - PubMed (nih.gov)

Search Score: 1

Azithromycin

Model Files Publication

Brand Name(s) include: Zithromax

Disease: Malaria

Drug Class: Marcolide Antibiotic

Date Updated: March 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: A Kp scalar (0.04) was used in the model
Route of Elimination	No metabolism; a biliary CLint was input based on clinical data
Perpetrator DDI	None
Validation	Two clinical studies describing single and multiple dose exposure of atovaquone were used to verify the PBPK model. 100% of studies were within 1.5-fold.
Limitations	There are some data to suggest atovaquone is an inhibitor of BCRP. This is currently not included within the model.
Updates in V19	Updated in vitrodata LogP: 5.8 -> 8.4 Caco-2 P_app > 300 x 10-6 cm/s Propranolol Papp 101 x 10-6 cm/s Optimized ka and t_lag Converted from minimal PBPK model to full PBPK model

Search Score: 1

Tafenoquine

Model Files Publication

Brand Name(s) include: Arakoda, Krintafel

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 3) Note: Kp scalar used
Route of Elimination	Undefined liver intrinsic clearance
Perpetrator DDI	CYP2C9 Inhibitor CYP3A4 Inhibitor
Validation	Four clinical studies describing single and multiple dose exposure of tafenoquine were used to verify the PBPK model, although some of these provided PK profiles and no PK parameters and vice versa. Of the clinical studies describing PK parameters, the model recovered 100% of the observed PK parameters within 1.5-fold (66% within 0.8-1.25-fold) and hence the model is considered predictive.
Limitations	Tafenoquine is administered with food to increase its exposure and minimize gastrointestinal side effects. The PBPK model was therefore developed to recover the PK of tafenoquine in the fed state. It should be noted that in the absence of information defining the fm of drug metabolizing enzymes, an undefined liver intrinsic clearance is used in the model and hence the model is not able to simulate the liability of tafenoquine as a victim of DDIs.

Search Score: 1

5HMT_V12R2_USFDA_20160510

Model Files Publication

Metabolite of fesoterodine. Note/correction: 1. PKa 9.3 instead of 7.6 (in supplemental materials) 2. the intrinsic clearance (CLint) values of CYP3A4 and CYP2D6 should be 0.085 and 1.455 uL/min/pmol enzyme 3. note simulation with ketoconazole, ketoconazole cmp file modified with p-gp inhibition constant (Ki) of 0.015 uM (assumed)

Search Score: 1

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ValproicAcid_V21R1_NationalTaiwanUniversity_20231012

Azithromycin

The model at-a-glance

Tafenoquine

The model at-a-glance

5HMT_V12R2_USFDA_20160510

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