Table 6.
Comp. ID | PSA | PPB a | Absorption Level b | CYP2D6 Prediction c | BBB Level d | Solubility Level e | AlogP98 |
---|---|---|---|---|---|---|---|
8 | 87.308 | TRUE | 2 | FALSE | 4 | 1 | 6 |
9 | 96.438 | TRUE | 2 | FALSE | 4 | 2 | 5.984 |
10 | 87.515 | TRUE | 2 | FALSE | 4 | 1 | 6.749 |
11 | 88.308 | TRUE | 2 | FALSE | 4 | 1 | 6.665 |
12 | 116.098 | FALSE | 2 | FALSE | 4 | 2 | 5.287 |
13 | 99.738 | FALSE | 2 | FALSE | 4 | 2 | 6.292 |
14 | 98.938 | FALSE | 2 | FALSE | 4 | 2 | 6.068 |
15 | 95.648 | TRUE | 2 | FALSE | 4 | 2 | 5.984 |
16 | 97.579 | TRUE | 2 | FALSE | 4 | 2 | 5.525 |
17 | 114.098 | FALSE | 2 | FALSE | 4 | 2 | 5.287 |
Erlotinib | 71.052 | TRUE | 0 | FALSE | 1 | 2 | 4.309 |
a PBB, plasma protein binding; FALSE means less than 90%; TRUE means > 90%. b Absorption level, 0 = good, 1 = moderate, 2 = poor, 3 = very poor. c CYP2D6, cytochrome P2D6; TRUE = inhibitor; FALSE = non-inhibitor. d BBB level, blood–brain barrier level, 0 = very high, 1 = high, 2 = medium, 3 = low, 4 = very low. e Solubility level, 1 = very low, 2 = low, 3 = good, 4 = optimal.