Table 2.
Human pharmacokinetic prediction results for 14 compounds
| 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 | |
+: WBPBPK model with SAC, -: WBPBPK model without SAC.