Table 2.
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.