PBPK modelling - Drug-drug interactions

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Model Parameters

Preloaded drug profile:

(or) enter values below (or)

Upload drug profile

Log P:

Log P _vo:w:

Property:

pKa1:

pKa2:

pKa3:

Log D:

Protein binding :

Blood-to-plasma ratio:

Molecular weight:

Drug name:

Route of administration:

In vitro absorption type:

Absorption value:

x 10^-6cm/s x 10^-7cm/s

Polar surface area (Å²):

Hydrogen bond donors:

Computed Kₐ:

h⁻¹

Release rate:

Infusion time (h):

Clearance type:

Enzyme:

Clearance value:

F_g value (if any) :

fu_{mic, gut}:

fu_{mic, liv}:

Enzyme 1:

Enzyme 1 value:

Enzyme 2:

Enzyme 2 value:

Enzyme 3:

Enzyme 3 value:

V_d method:

Renal clearance:

Induction 1 Enzyme:

Induction 1 type:

Induction 1 max:

Induction 1 IC₅₀:

Induction 1 k_deg:

..

Induction 2 Enzyme:

Induction 2 type:

Induction 2 max:

Induction 2 IC₅₀:

Induction 2 k_deg:

..

Induction 3 Enzyme:

Induction 3 type:

Induction 3 max:

Induction 3 IC₅₀:

Induction 3 k_deg:

Inhibition 1 Enzyme:

Inhibition 1 type:

Inhibition 1 K_i:

Inhibition 1 k_inact:

Inhibition 1 k_deg:

..

Inhibition 2 Enzyme:

Inhibition 2 type:

Inhibition 2 K_i:

Inhibition 2 k_inact:

Inhibition 2 k_deg:

..

Inhibition 3 Enzyme:

Inhibition 3 type:

Inhibition 3 K_i:

Inhibition 3 k_inact:

Inhibition 3 k_deg:

Sex:

FemaleMaleBoth

Age range (years):

－

Population:

Dose:

Dosing interval:

Dose repeats:

Dose end time:

Simulation time:

Time units:

Lead Plot:

Lag time (in hours):

Target concentration:

Concentration units:

Clinical study year:

Absorption scalar:

Clearance scalar:

Distribution scalar:

Plasma profile :

Upload observed data:

Click to upload

File name:

Remove file

Time units:

Concentration units:

Model Parameters

Preloaded drug profile:

(or) enter values below (or)

Upload drug profile

Log P:

Log P _vo:w:

Property:

pKa1:

pKa2):

pKa3:

Log D:

Protein binding :

Blood-to-plasma ratio:

Molecular weight:

Drug name:

Route of administration:

In vitro absorption type:

Absorption value:

x 10^-6cm/s x 10^-7cm/s

Polar surface area (Å²):

Hydrogen bond donors:

Computed Kₐ:

h⁻¹

Release rate:

Infusion time (h):

Clearance type:

Enzyme:

Clearance value:

F_g value (if any) :

fu_{mic, gut}:

fu_{mic, liv}:

Enzyme 1:

Enzyme 1 value:

Enzyme 2:

Enzyme 2 value:

Enzyme 3:

Enzyme 3 value:

V_d method:

Renal clearance:

Induction 1 Enzyme:

Induction 1 type:

Induction 1 max:

Induction 1 IC₅₀:

Induction 1 k_deg:

..

Induction 2 Enzyme:

Induction 2 type:

Induction 2 max:

Induction 2 IC₅₀:

Induction 2 k_deg:

..

Induction 3 Enzyme:

Induction 3 type:

Induction 3 max:

Induction 3 IC₅₀:

Induction 3 k_deg:

Inhibition 1 Enzyme:

Inhibition 1 type:

Inhibition 1 K_i:

Inhibition 1 k_inact:

Inhibition 1 k_deg:

..

Inhibition 2 Enzyme:

Inhibition 2 type:

Inhibition 2 K_i:

Inhibition 2 k_inact:

Inhibition 2 k_deg:

..

Inhibition 3 Enzyme:

Inhibition 3 type:

Inhibition 3 K_i:

Inhibition 3 k_inact:

Inhibition 1 k_deg:

Dose:

Dose start time:

Dosing interval:

Dose repeats:

Dose end time:

Lead Plot:

Lag time (in hours):

Target concentration:

Concentration units:

Absorption scalar:

Clearance scalar:

Distribution scalar:

Plasma profile :

Upload observed data:

Click to upload

File name:

Remove file

Time units:

Concentration units: