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DDI (2 Drugs)
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ABOUT
TEORELER
TEAM
PBPK MODEL
GET STARTED
PBPK PARAMETERS
PUBLICATIONS
TUTORIAL
PBPK MODELS
ALL MODELS
ADULT
CHILD
DDI (2 Drugs)
RAT
MOUSE
GET STARTED
TUTORIAL
V
d
CALCULATOR
NEW
CONTACT US
Home
>
PBPK models
>
Child - Adolescent
BETA
Model Parameters
Preloaded drug profile:
CUSTOM
Lorazepam (IV)
Diclofenac (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
Adult value
Blood-to-plasma ratio:
Adult value
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 (h⁻¹):
Infusion time (h):
Clearance type:
IV plasma CL
Intrinsic
Clearance value:
L/h
L/h/kg
mL/min
mL/min/kg
mL/min/m2
Adult value
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
Renal clearance:
L/h
L/h/kg
mL/min
mL/min/kg
mL/min/m²
Adult value
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 (IV, 1.0 mg/kg, Korpela and Olkkola et al. 1990 (15 min Infusion))
Diclofenac - Child (IV, 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)
Uploaded
Upload observed data:
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File name:
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Time units:
Hours
Days
Weeks
Concentration units:
mg/L (or) μg/mL
ng/mL