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TEAM
PBPK MODEL
GET STARTED
PBPK PARAMETERS
PUBLICATIONS
TUTORIAL
PBPK MODELS
ALL MODELS
ADULT
CHILD
DDI (2 Drugs)
RAT
MOUSE
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d
CALCULATOR
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PBPK models
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Adult
Model Parameters
Preloaded drug profile:
CUSTOM
---- Intramuscular -------
Medroxyprogesterone (IM)
Olanzapine (IM)
Paliperidone (IM)
Rilpivirine (IM)
---- Oral -----------
Bictegravir (ORAL)
Cabotegravir (ORAL)
Dolutegravir (ORAL)
Olanzapine (ORAL)
Rilpivirine (ORAL)
Risperidone (ORAL)
---- Intravenous ---------
Aripiprazole (IV)
Midazolam (IV)
Leuprolide (IV)
Lorazepam (IV)
Paliperidone (IV)
Sotalol (IV)
(or) enter values below (or)
Upload drug profile
Drug Inputs
ADME Inputs
Dose Inputs
Other Inputs
Observed Data
Log P:
Log P
vo:w
:
Property:
Monoprotic acid
Monoprotic base
Diprotic acid
Diprotic base
Neutral
Zwitterion (pKa1 - Acid, pKa2 - Base)
Zwitterion (pKa1 - Acid, pKa2 - Acid, pKa3 - Base)
Zwitterion (pKa1 - Acid, pKa2 - Base, pKa3 - Base)
pKa1:
pKa2:
pKa3:
Log D:
Protein binding :
Protein binding (%)
Fraction unbound
Blood-to-plasma ratio:
Molecular weight:
Drug name:
Route of administration:
Oral
Intramuscular (IM)
Subcutaneous (SC)
Intravenous bolus (IV)
Infusion
In vitro
absorption type:
Polar Surface Area (PSA) (Ų)/ Hydrogen Bond Donors (HBD)
cLogP/ Polar Surface Area (PSA) (Ų)/ Hydrogen Bond Donors (HBD)
Apparent permeability - CACO-2 (×10⁻⁶ cm/s)
Apparent permeability - MDCK (×10⁻⁷ cm/s)
Absorption rate - Kₐ (h⁻¹)
Absorption value:
x 10
-6
cm/s
x 10
-7
cm/s
Polar surface area (Ų):
Hydrogen bond donors:
Computed Kₐ:
h⁻¹
Release rate method:
Zero order (mg.h⁻¹)
First order (h⁻¹)
Two fraction first order (h⁻¹)
Two fraction zero (mg.h⁻¹) and first order (h⁻¹)
Release rate:
Second release fraction:
Second release rate:
Infusion time (h):
Clearance type:
IV plasma CL
Intrinsic
Clearance value:
L/h
L/h/kg
mL/min
mL/min/kg
mL/min/m2
F
g
value (if any) :
fu
mic, gut
:
fu
mic, 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 - Schmitt
PK-Sim®
Schmitt W
Rodgers & Rowland
Berezhkovskiy
Poulin & Theil
Partition coefficient correction factor:
Adipose
Muscle
Liver
Kidneys
Renal clearance:
L/h
L/h/kg
mL/min
mL/min/kg
mL/min/m²
Sex:
Female
Male
Both
Age range (years):
-
Population:
Dose:
mg
µg
mg/kg
Dosing interval:
Dose repeats:
Dose end time:
Simulation time:
Time units:
Hours
Days
Weeks
Lead Plot:
Plasma concentration
Adipose
Bones
Brain
Heart
Intestines
Kidneys
Liver
Lungs
Muscle
Pancreas
Remaining
Skin
Spleen
Stomach
Lag time (in hours):
Target concentration:
Concentration units:
mg/L (or) μg/mL
ng/mL
Clinical study year:
Absorption scalar:
Clearance scalar:
Distribution scalar:
Plasma profile :
Default / None
Aripiprazole - Adult (IV, 2.0 mg, Boulton et al. 2008)
Atazanavir - Adult (ORAL, 300.0 mg, Acosta et al.)
Atovaquone - Mouse (IM, 200.0 mg/kg, Bakshi et al. 2018)
Atovaquone - Mouse (IV, 1.0 mg/kg, Patel et al. 2018)
Bictegravir - Adult (ORAL, 100.0 mg, Subramanian et al. 2023)
Cabotegravir - Adult (ORAL, 30.0 mg, Ford SL et al. 2017)
Diclofenac - Child (INF, 1.0 mg/kg, Korpela and Olkkola et al. 1990 (15 min Infusion))
Diclofenac - Child (INF, 1.0 mg/kg, Korpela and Olkkola et al. 1990 (5 min Infusion))
Dolutegravir - Adult (ORAL, 50.0 mg, Song et al. 2017)
Doravarine - Adult (ORAL, 100.0 mg, Anderson et al. 2015)
Doravarine - Adult (ORAL, 120.0 mg, Anderson et al. 2015)
Leuprolide - Adult (IV, 1.0 mg, Senello et al. 1986)
Lonafarnib - Adult (ORAL, 200.0 mg, Castaneda et al. 2001)
Lorazepam - Adult (IV, 2.0 mg, Wermeling et al. 2001)
Lorazepam - Child (IV, 0.05 mg/kg, Maharaj et al. 2013)
Medroxyprogesterone acetate - Adult (IM, 150.0 mg, Fotherby et al. 1980 )
Midazolam - Adult (IV, 5.0 mg, Schwagmeier et al. 2016)
Midazolam - Adult (ORAL, 15.0 mg, Backman et al. 1996)
Olanzapine - Adult (IM, 150.0 mg, Callghan et al. 1999)
Olanzapine - Adult (IM, 300.0 mg, Callghan et al. 1999)
Olanzapine - Adult (ORAL, 5.0 mg, Callghan et al. 1999)
Olanzapine - Adult (ORAL, 10.0 mg, Callghan et al. 1999)
Olanzapine - Adult (ORAL, 15.0 mg, Callghan et al. 1999)
Paliperidone - Adult (IM, 150.0 mg, Samtani et al. 2009)
Paliperidone - Adult (IV, 1.0 mg, Samtani et al. 2009)
Paliperidone - Rat (IV, 2.5 mg/kg, Sun et al. 2010)
Rifampicin - Adult (ORAL, 600.0 mg, Acocella et al. 1978)
Rilpivirine - Adult (IM, 600.0 mg, Klooster et al. 2010)
Rilpivirine - Adult (ORAL, 25.0 mg, Ford SL et al. 2013)
Risperidone - Adult (ORAL, 1.0 mg, Novalbos et al. 2010)
Ritonavir - Adult (ORAL, 100.0 mg, Burger et al. 2016)
Ritonavir - Adult (ORAL, 200.0 mg, Mathais et al. 2009)
Sotalol - Adult (IV, 20.0 mg, Antilla et al. 1976)
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File name:
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Time units:
Hours
Days
Weeks
Concentration units:
mg/L (or) μg/mL
ng/mL