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d
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TEORELER
GET STARTED
PBPK PARAMETERS
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ADULT
DDI (2 Drugs)
RAT
MOUSE
V
d
CALCULATOR
TEAM
CONTACT US
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PBPK models
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Two-drug interaction model
BETA
Drug 1
Drug 2
Model Parameters
Preloaded drug profile:
CUSTOM
Rilpivirine (IM)
Rilpivirine (ORAL)
Rifampicin (ORAL)
Ritonavir (ORAL)
Midazolam (IV)
(or) enter values below (or)
Upload parameters
Drug Inputs
ADME Inputs
Dose Inputs
Optional Inputs
Upload Data
Log P:
Property:
Monoprotic acid
Monoprotic base
Diprotic base
Neutral
Zwitterion
pKa1, pKa2 (if any):
Protein binding (%):
Blood-to-plasma ratio:
Molecular weight:
Route of administration:
Oral
Intramuscular (IM)
Subcutaneous (SC)
Intravenous bolus (IV)
Infusion
In vitro
absorption type:
Apparent permeability - CACO-2 (⨯10⁻⁶ cm/s)
Apparent permeability - MDCK (⨯10⁻⁶ cm/s)
Polar Surface Area (PSA) (Ų)/ Hydrogen Bond Donors (HBD)
Absorption rate - Kₐ (h⁻¹)
Absorption value:
x 10
-6
Release rate (h⁻¹):
Infusion time (h):
Polar surface area (Ų):
Hydrogen bond donors:
Clearance type:
Apparent CL
Intrinsic
Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Unknown
Clearance value:
L/h
L/h/kg
mL/min
mL/min/kg
F value:
fu
gut
:
fu
liv
:
Enzyme 1:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Unknown
Enzyme 1 value:
µL/min/pmol
µL/min/mg
Enzyme 2:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Unknown
Enzyme 2 value:
µL/min/pmol
µL/min/mg
Enzyme 3:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Unknown
Enzyme 3 value:
µL/min/pmol
µL/min/mg
V
d
method:
Rodgers & Rowland
Poulin & Theil
Renal clearance:
L/h
L/h/kg
mL/min
mL/min/kg
mL/min/m²
Induction 1 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Induction 1 type:
None
Static
Indirect effect
Induction 1 max:
Induction 1 IC
50
:
µM
nM
Induction 1 k
deg
:
..
Induction 2 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Induction 2 type:
None
Static
Indirect effect
Induction 2 max:
Induction 2 IC
50
:
µM
nM
Induction 2 k
deg
:
..
Induction 3 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Induction 3 type:
None
Static
Indirect effect
Induction 3 max:
Induction 3 IC
50
:
µM
nM
Induction 3 k
deg
:
Inhibition 1 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Inhibition 1 type:
None
Reversible
Time-dependent
Inhibition 1 K
i
:
µM
nM
Inhibition 1 k
inact
:
Inhibition 1 k
deg
:
..
Inhibition 2 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Inhibition 2 type:
None
Reversible
Time-dependent
Inhibition 2 K
i
:
µM
nM
Inhibition 2 k
inact
:
Inhibition 2 k
deg
:
..
Inhibition 3 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Inhibition 3 type:
None
Reversible
Time-dependent
Inhibition 3 K
i
:
µM
nM
Inhibition 3 k
inact
:
Inhibition 3 k
deg
:
Sex:
Female
Male
Both
Dose:
mg
µg
mg/kg
Dosing interval:
Dose repeats:
Dose end time:
Simulation time:
Time units:
Hours
Days
Weeks
Population:
Target concentration:
Concentration units:
mg/L (or) μg/mL
ng/mL
Clinical study year:
Absorption scalar:
Clearance scalar:
Distribution scalar:
Upload observed data:
Browse...
File name:
Remove file
Time units:
Hours
Days
Weeks
Concentration units:
mg/L (or) μg/mL
ng/mL
Model Parameters
Preloaded drug profile:
CUSTOM
Rifampicin
Rilpivirine (ORAL)
Rilpivirine
Ritonavir
(or) enter values below (or)
Upload parameters
Drug Inputs
ADME Inputs
Dose Inputs
Optional Inputs
Upload Data
Log P:
Property:
Monoprotic acid
Monoprotic base
Diprotic base
Neutral
Zwitterion
pKa1, pKa2 (if any):
Protein binding (%):
Blood-to-plasma ratio:
Molecular weight:
Route of administration:
Oral
Intramuscular (IM)
Subcutaneous (SC)
Intravenous bolus (IV)
Infusion
In vitro
absorption type:
Apparent permeability - CACO-2 (⨯10⁻⁶ cm/s)
Apparent permeability - MDCK (⨯10⁻⁶ cm/s)
Polar Surface Area (PSA) (Ų)/ Hydrogen Bond Donors (HBD)
Absorption rate - Kₐ (h⁻¹)
Absorption value:
x 10
-6
Release rate (h⁻¹):
Infusion time (h):
Polar surface area (Ų):
Hydrogen bond donors:
Clearance type:
Apparent CL
Intrinsic
Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Unknown
Clearance value:
L/h
L/h/kg
mL/min
mL/min/kg
F value:
fu
gut
:
fu
liv
:
Enzyme 1:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Unknown
Enzyme 1 value:
µL/min/pmol
µL/min/mg
Enzyme 2:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Unknown
Enzyme 2 value:
µL/min/pmol
µL/min/mg
Enzyme 3:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Unknown
Enzyme 3 value:
µL/min/pmol
µL/min/mg
V
d
method:
Rodgers & Rowland
Poulin & Theil
Renal clearance:
L/h
L/h/kg
mL/min
mL/min/kg
mL/min/m²
Induction 1 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Induction 1 type:
None
Static
Indirect effect
Induction 1 max:
Induction 1 IC
50
:
µM
nM
Induction 1 k
deg
:
..
Induction 2 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Induction 2 type:
None
Static
Indirect effect
Induction 2 max:
Induction 2 IC
50
:
µM
nM
Induction 2 k
deg
:
..
Induction 3 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Induction 3 type:
None
Static
Indirect effect
Induction 3 max:
Induction 3 IC
50
:
µM
nM
Induction 3 k
deg
:
Inhibition 1 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Inhibition 1 type:
None
Reversible
Time-dependent
Inhibition 1 K
i
:
µM
nM
Inhibition 1 k
inact
:
Inhibition 1 k
deg
:
..
Inhibition 2 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Inhibition 2 type:
None
Reversible
Time-dependent
Inhibition 2 K
i
:
µM
nM
Inhibition 2 k
inact
:
Inhibition 2 k
deg
:
..
Inhibition 3 Enzyme:
None
CYP1A2
CYP2A6
CYP2B6
CYP2C8
CYP2C9
CYP2C18
CYP2C19
CYP2D6
CYP2E1
CYP2J2
CYP3A4
CYP3A5
CYP3A7
CYP3A43
CYP4F2
UGT1A1
UGT1A3
UGT1A4
UGT1A6
UGT1A9
UGT2B4
UGT2B7
UGT2B10
UGT2B15
UGT2B17
Inhibition 3 type:
None
Reversible
Time-dependent
Inhibition 3 K
i
:
µM
nM
Inhibition 3 k
inact
:
Inhibition 1 k
deg
:
Dose:
mg
µg
mg/kg
Dose start time:
Dosing interval:
Dose repeats:
Dose end time:
Target concentration:
Concentration units:
mg/L (or) μg/mL
ng/mL
Absorption scalar:
Clearance scalar:
Distribution scalar:
Upload observed data:
Browse...
File name:
Remove file
Time units:
Hours
Days
Weeks
Concentration units:
mg/L (or) μg/mL
ng/mL