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|
Parameter
|
Abbreviation (unit)
|
Duloxetine
|
Flunitrazepam
|
Quetiapine
|
Trazodone
|
|---|
|
Model input parameters
|
|
Molecular weight
|
MW
|
297
|
313
|
384
|
372
|
|
Octanol–water partition coefficient
|
logP
|
4.26
|
1.78
|
2.99
|
3.85
|
|
Plasma unbound fraction
|
fu,p
|
0.114
|
0.324
|
0.125
|
0.0732
|
|
Blood–plasma concentration ratio
|
Rb
|
0.843
|
0.921
|
0.852
|
0.805
|
|
Liver–plasma concentration ratio
|
Kp,h
|
3.18
|
1.17
|
2.69
|
3.01
|
|
Fraction absorbed × intestinal availability
|
Fa·Fg
|
1
|
1
|
1
|
1
|
|
Absorption rate constant
|
ka (1/h)
|
0.372 ± 0.007a
|
2.48 ± 0.05
|
2.86 ± 0.05
|
1.12 ± 0.26
|
|
Transfer rate constant
|
k12 (1/h)
|
–
|
0.28 ± 0.02
|
–
|
–
|
|
Transfer rate constant
|
k21 (1/h)
|
–
|
0.04 ± 0.01
|
–
|
–
|
|
Volume of systemic circulation
|
V1 (L)
|
755 ± 1a
|
80.7 ± 0.1
|
206 ± 1
|
66.2 ± 9.5
|
|
Hepatic intrinsic clearance
|
CLh,int (L/h)
|
385 ± 1a
|
15.8 ± 0.1
|
954 ± 1
|
173 ± 16
|
|
Hepatic clearance
|
CLh (L/h)
|
30.2
|
4.84
|
53.4
|
11.2
|
|
Renal clearance
|
CLr (L/h)
|
3.0
|
0.48
|
5.3
|
1.1
|
|
Estimated values
|
|
Cmax in plasma
|
ng/mL
|
44.9 (0.93)b
|
9.12 (1.08)
|
44.2 (0.98)
|
491 (0.72)
|
|
AUC in plasma
|
ng·h/mL
|
1210 (1.19)
|
52.1 (1.02)
|
172 (0.95)
|
3610 (0.77)
|
|
Reported levels
|
|
Cmax in plasma
|
ng/mL
|
48.5 ± 8.3c
|
8.47d
|
45.0e
|
681 ± 128f
|
|
AUC in plasma
|
ng·h/mL
|
1020 ± 220
|
51.2
|
181
|
4670 ± 790
|
- aData are means ± standard deviations by fitting to measured concentrations. bValues in parentheses are ratios to the reported/observed values. Reported/observed blood levels were taken from the literature: c [16], d [17], e [18], and f [19]
