Table 2. Adsorption, distribution, metabolism, and excretion properties of compounds.
Number | Compounds | Solubility level | BBB level | CYP2D6 | Hepatotoxicity | Absorption level | PPB level |
1 | ZINC000006094124 | 3 | 3 | 0 | 1 | 0 | 1 |
2 | ZINC000014820552 | 2 | 2 | 0 | 1 | 0 | 1 |
3 | ZINC000006092198 | 3 | 4 | 0 | 1 | 1 | 1 |
4 | ZINC000018185774 | 4 | 3 | 0 | 1 | 0 | 0 |
5 | ZINC000000899884 | 2 | 2 | 0 | 1 | 0 | 1 |
6 | ZINC000018185774 | 3 | 4 | 1 | 1 | 0 | 0 |
7 | ZINC000014820405 | 3 | 3 | 0 | 1 | 0 | 1 |
8 | ZINC000020470300 | 2 | 1 | 0 | 1 | 0 | 1 |
9 | ZINC000005732375 | 3 | 3 | 0 | 1 | 0 | 0 |
10 | ZINC000028465419 | 2 | 2 | 0 | 1 | 0 | 0 |
11 | ZINC000005732375 | 3 | 3 | 0 | 1 | 0 | 0 |
12 | ZINC000006092239 | 3 | 3 | 0 | 1 | 0 | 1 |
13 | ZINC000003871576 | 4 | 3 | 0 | 1 | 0 | 0 |
14 | ZINC000013481874 | 4 | 4 | 0 | 1 | 0 | 0 |
15 | ZINC000003871576 | 4 | 3 | 0 | 1 | 0 | 0 |
16 | ZINC000000155807 | 3 | 4 | 0 | 1 | 0 | 0 |
17 | ZINC000014820583 | 2 | 2 | 0 | 1 | 0 | 1 |
18 | ZINC000005732375 | 3 | 3 | 0 | 1 | 0 | 1 |
19 | ZINC000000895551 | 3 | 3 | 0 | 1 | 0 | 0 |
20 | ZINC000018169010 | 4 | 4 | 0 | 1 | 3 | 0 |
21 | ZINC000001532730 | 4 | 4 | 0 | 0 | 0 | 0 |
BBB, blood-brain barrier; CYP2D6, cytochrome P-450 2D6; PPB, plasma protein binding; O6-BG, O6-benzylguanine.
Aqueous-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.