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Table 2 Human pharmacokinetic prediction results for 14 compounds

From: Utility of a single adjusting compartment: a novel methodology for whole body physiologically-based pharmacokinetic modelling

Parameter

Group

T1/2

CLtot

  

6 organs

8 organs

10 organs

6 organs

8 organs

10 organs

  

+

-

+

-

+

-

+

-

+

-

+

-

AFE

acidic

5.45

38.7

2.26

16.6

1.36

13.5

1.39

305

1.07

26.5

2.56

14.7

 

neutral

3.58

36.6

2.97

2.12

1.64

2.25

4.01

68.5

1.47

14.8

1.38

10.8

 

basic

4.13

36.8

1.85

7.48

1.76

6.28

1.34

24.4

1.62

5.64

1.10

4.37

 

zwitterionic

2.80

14.4

1.41

5.10

1.36

3.85

1.40

33.3

1.48

7.40

1.63

5.67

AFE

Overall

3.35

23.2

1.75

5.78

1.48

4.74

1.63

47.4

1.47

9.24

1.56

6.74

within-2-fold (%)

 

0

0

62

14

93

14

92

0

92

0

79

0

  1. +: WBPBPK model with SAC, -: WBPBPK model without SAC.