OP PBK model

Model information

Organism

Organism:

Bodyweight (Kg):

Tissues
Body kinetics
Physiological parameters

Organophosphate pesticides

Example pesticides:

Chemical parameters

Name of compound:

Is a thiophosphate (P=S bond)

Molecular weight (g/mol):

Type of compound:

LogP(octanol/water; aka LogKow):

pKa value:

Absorption

Absorption rate constant (ka; /h):

Blood kinetics

Fup source:

Fup:

Contains quaternairy nitrogen

Blood/plasma ratio (BPR):

Liver
Blood
Metabolism

Vmax input in nmol/min/mg protein; Km input in uM

Vmax desulfuration:

Km desulfuration:

Vmax desulfuration:

Km desulfuration:

Vmax hydrolysis mic:

Km hydrolysis mic:

Vmax input in nmol/min/mg protein; Km input in uM

Vmax hydrolysis:

Km hydrolysis:

Chemical parameters

Name of compound:

Type of compound:

LogP(octanol/water; aka LogKow):

pKa value:

Fup source:

Fup:

Contains quaternairy nitrogen

Blood/plasma ratio (BPR):

Liver
Blood
Metabolism

Vmax input in nmol/min/mg protein; Km input in uM

Vmax hydrolysis mic:

Km hydrolysis mic:

Vmax hydrolysis cyt:

Km hydrolysis cyt:

Vmax input in nmol/min/mg protein; Km input in uM

Vmax hydrolysis:

Km hydrolysis:

Urinary metabolite

Name of compound:

Fraction excreted:

Type of compound:

LogP(octanol/water; aka LogKow):

pKa value:

Source:

Fup:

Contains quaternairy nitrogen

Blood/plasma ratio (BPR):

Urinary metabolite derivative

Fraction excreted:

Type of compound:

LogP(octanol/water; aka LogKow):

pKa value:

Source:

Fup:

Contains quaternairy nitrogen

Blood/plasma ratio (BPR):

Glucuronidated urinary metabolite

Fraction excreted:

LogP(octanol/water; aka LogKow):

pKa value:

Source:

Fup:

Contains quaternairy nitrogen

Blood/plasma ratio (BPR):

Sulphonated urinary metabolite

Fraction excreted:

LogP(octanol/water; aka LogKow):

pKa value:

Source:

Fup:

Contains quaternairy nitrogen

Blood/plasma ratio (BPR):

Dosing

Route of administration:

Dose (mg/kg bodyweight):

Number of doses:

Dosing interval (h):

Run settings

Length of simulation (h):

Plot per:

Select compound/compartment:

Download data

Dose Min (mg/kg bw):

Dose Max (mg/kg bw):

Step size (mg/ kg bw):