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

Searching Tips

You can use a * character as a wildcard at the end of a alphanumeric search term. The search term must start with at least one character before the wildcard. E.g., Rifam* will get you “Rifampicin” and “Rifampin”.
You can also use a * character as a wildcard in the middle of a alphanumeric search term. The search term must still start with at least one character before the wildcard. E.g., Rif*in will also get you “Rifampicin” and “Rifampin” .
You can also use a * character as a wildcard at the start of a alphanumeric search term. However you must use forward slashes to delimit the search term and use a point before the wildcard. E.g., /.*picin/ will only get you “Rifampicin”.

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

Found 65 Matches

Rilpivirine

Model Files Publication

Brand Name: Edurant, Rekambys

Disease: HIV

Drug Class: non-nucleoside reverse transcriptase inhibitor

Version: 21

Date Updated: March 2024

The model at-a-glance

Absorption Model	First order
Volume of Distribution Details	Full PBPK (Method 3)
Route of Elimination	CYP3A4 = 63.2%; Additional HLM = 36.8%
Perpetrator DDI	CYP3A4 Inhibition CYP3A4 Induction
Validation	The refined model was able to recover clinically observed concentration-time profiles of rilpivirine following single and multiple dosing. Seven clinical DDI studies where rilpivirine was administered with either efavirenz, ketoconazole, rifampin, or rifabutin were used to verify the PBPK model of rilpivirine as a victim. In comparison of predicted vs. observed AUC, 85.7% of the studies were within 1.5-fold. Three clinical DDI studies where rilpivirine was administered with either sildenafil, ethinylestradiol, or midazolam were used to verify the PBPK model of rilpivirine as a perpetrator. In comparison of predicted vs. observed AUC, 100% of the studies were within 1.25-fold.
Limitations	The net in vivo effect of rilpivirine as either an inhibitor or an inducer of CYP3A appears to be negligible based on the available DDI studies

Search Score: 1

Remdesivir&Metabolites_V18R1_Gilead_20210204

Model Files Publication

Remdesivir (GS-5734) and metabolites adult compound files Adult and pediatric (<40kg and >40kg) workspace files

Search Score: 1

Eltrombopag_RES_V21R1_Simcyp_20230615

Model Files Publication

Prepared: June 2023 The RES-Eltrombopag_V21 model has been developed primarily as an inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default in V22. The file is verified as tablet in the fasted state as that formulation was used in the Rosuvastatin DDI (Allred et al., 2011). The PK for Eltrombopag was evaluated at 25mg, 50mg and 75mg SD; 50mg QD, 100mg QD, 150mg QD, and 200mg QD. Note, the Rosuvastatin DDI with 75mg QD was used to fit the BCRP component in Rosuvastatin V21 file using the New GI physiology. The BCRP component of Rosuvastatin was then verified with other BCRP-Inhibitors available on the members area (as specified in the attached document) or within the Simcyp Simulator. Allred, A. J., C. J. Bowen, J. W. Park, B. Peng, D. D. Williams, M. B. Wire, and E. Lee. 2011. “Eltrombopag Increases Plasma Rosuvastatin Exposure in Healthy Volunteers.” Journal Article. Br J Clin Pharmacol 72 (2): 321–29.

Search Score: 1

Amodiaquine

Model Files Publication

Brand Name(s) include: Basoquin, Camoquin, Flavoquin, Coarsucam

Disease: Malaria

Drug Class: Antimalarials

Date Updated: June 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2)
Route of Elimination	CYP2C8 = 72%; Additional HLM = 28%
Perpetrator DDI	CYP2D6
Validation	Four clinical studies describing single and multiple dose exposure of amodiaquine were used to verify the PBPK model. In comparison of predicted vs. observed AUC, 75% of the studies were 2-fold and 50% were within 1.5-fold. A clinical DDI study where amodiaquine was the victim of a CYP2C8-mediated DDI was accurately recovered using the PBPK model.
Limitations	Clinical data has not been used to verify amodiaquine as a perpetrator of CYP2D6-mediated DDIs
Updates in V19	Updated in vitrodata fu: 0.033 -> 0.089 B:P: 1.3 -> 1.1 DEAQ Ki for CYP2D6 (µM) – 1.7 -> 1.6 Converted from minimal PBPK model to full PBPK model Recalculated retrograde clearance for CYP2C8 CL_int and additional HLM CL_int

Search Score: 1

Search the PBPK Model Repository

Searching Tips

Rilpivirine

The model at-a-glance

Remdesivir&Metabolites_V18R1_Gilead_20210204

Eltrombopag_RES_V21R1_Simcyp_20230615

Amodiaquine

The model at-a-glance

Your Privacy