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. 2022 May 21;13(5):12003–12020. doi: 10.1080/21655979.2021.2011631

Table 2.

ADME(Absorption, Distribution, Metabolism, and Excretion) properties of compounds

Number Compounds Solubility Level BBB Level CYP2D6 Hepatotoxicity Absorption Level PPB Level
1 ZINC000014951634 3 4 0 0 3 0
2 ZINC000014951658 3 4 0 0 3 0
3 ZINC000028968101 1 4 1 1 3 1
4 ZINC000049872065 3 4 0 0 2 0
5 ZINC000002509755 2 2 1 1 0 1
6 ZINC000015122022 2 4 1 0 2 1
7 ZINC000002528486 2 2 1 1 0 1
8 ZINC000001531664 2 4 0 1 3 0
9 ZINC000013328774 3 4 0 1 3 0
10 ZINC000021992902 3 4 0 0 1 0
11 ZINC000030725991 0 4 0 1 2 0
12 ZINC000002526388 2 4 1 1 0 1
13 ZINC000008844372 3 4 0 1 1 0
14 ZINC000013378636 2 4 1 0 2 1
15 ZINC000073280937 2 4 0 1 2 1
16 ZINC000030730842 4 4 0 1 3 0
17 ZINC000006528354 3 2 0 1 0 1
18 ZINC000044281738 0 4 0 1 3 1
19 ZINC000028882432 3 4 0 0 3 0
20 ZINC000008214697 2 4 0 0 3 1
21 Ipatasertib 2 2 0 0 0 0

BBB, blood-brain barrier; CYP2D6, cytochrome P-450 2D6; PPB, plasma protein binding.

Solubility level: 0, extremely low; 1, very low, but possible; 2, low; 3, good.

BBB level: 0, very high penetrant; 1, high; 2, medium; 3, low; 4, undefined.

CYP2D6 level: 0, noninhibitor; 1, inhibitor.

Hepatotoxicity: 0, nontoxic; 1, toxic.

Human-intestinal absorption level: 0, good; 1, moderate; 2, poor; 3, very poor.

PPB: 0, absorbent weak; 1, absorbent strong.