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. 2023 May 22;24(10):9104. doi: 10.3390/ijms24109104

Table 6.

Predicted ADMET for synthesized hybrids.

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.