TABLE 3.
ADMET properties of the tested alkamides in Piper nigrum fruits.
| Compound | BBB level | Absorption level | Solubility level | Hepatotoxicity | CYP2D6 | PPB level | ALogP98 | PSA-2D |
|---|---|---|---|---|---|---|---|---|
| 1 | 1 | 0 | 3 | NT | NI | False | 2.864 | 38.513 |
| 2 | 1 | 0 | 2 | NT | NI | False | 3.332 | 38.513 |
| 3 | 1 | 0 | 2 | NT | NI | True | 4.689 | 38.513 |
| 4 | 1 | 0 | 2 | NT | NI | True | 4.245 | 38.513 |
| 5 | 1 | 0 | 2 | NT | NI | True | 4.712 | 38.513 |
| 6 | 0 | 1 | 2 | NT | NI | True | 6.069 | 38.513 |
| 7 | 2 | 0 | 3 | NT | NI | False | 2.408 | 38.513 |
| 8 | 1 | 0 | 2 | NT | NI | True | 3.788 | 38.513 |
| 9 | 1 | 0 | 2 | NT | NI | True | 4.313 | 47.971 |
| 10 | 0 | 1 | 2 | Tox | NI | True | 6.138 | 47.971 |
| 11 | 0 | 0 | 2 | NT | NI | True | 4.87 | 30.111 |
| 12 | 1 | 0 | 2 | NT | NI | False | 3.823 | 38.513 |
| 13 | 0 | 0 | 2 | Tox | I | True | 5.226 | 47.971 |
| 14 | 0 | 0 | 2 | Tox | I | True | 5.67 | 47.971 |
| 15 | 1 | 0 | 3 | NT | NI | False | 3.958 | 30.111 |
| 16 | 1 | 0 | 2 | NT | I | True | 4.781 | 47.971 |
| 17 | 1 | 0 | 2 | NT | I | True | 4.758 | 47.971 |
| 18 | 3 | 0 | 4 | NT | NI | False | 2.333 | 71.741 |
| 19 | 2 | 0 | 2 | Tox | I | True | 2.461 | 55.814 |
| 20 | 1 | 0 | 2 | NT | NI | True | 3.773 | 44.091 |
| 21 | 3 | 0 | 2 | Tox | I | True | 2.326 | 68.786 |
| 22 | 2 | 0 | 2 | Tox | I | True | 2.639 | 70.814 |
| 23 | 3 | 0 | 2 | Tox | I | True | 2.332 | 71.031 |
| 24 | 1 | 0 | 2 | NT | I | True | 4.758 | 47.971 |
| 25 | 2 | 0 | 3 | NT | NI | True | 1.357 | 35.16 |
| 26 | 4 | 3 | 2 | NT | NI | True | 8.007 | 30.111 |
| 27 | 1 | 0 | 2 | Tox | NI | True | 4.847 | 77.027 |
| 28 | 0 | 0 | 2 | NT | NI | True | 5.625 | 38.513 |
| 29 | 2 | 0 | 4 | NT | NI | False | 1.23 | 37.954 |
| 30 | 3 | 0 | 3 | Tox | NI | True | 2.91 | 80.672 |
| 31 | 4 | 1 | 2 | NT | NI | True | 5.982 | 77.027 |
| 32 | 4 | 1 | 2 | NT | NI | True | 5.993 | 77.027 |
| 33 | 4 | 1 | 2 | NT | NI | True | 5.874 | 77.027 |
| 34 | 1 | 0 | 2 | Tox | NI | True | 4.45 | 47.971 |
| 35 | 2 | 0 | 3 | NT | NI | True | 2.933 | 47.971 |
| 36 | 1 | 0 | 2 | NT | NI | False | 3.332 | 38.513 |
| 37 | 1 | 0 | 3 | NT | NI | False | 2.876 | 38.513 |
| 38 | 1 | 0 | 2 | NT | NI | True | 3.788 | 38.513 |
| 39 | 2 | 0 | 3 | NT | NI | False | 2.397 | 38.513 |
| 40 | 0 | 0 | 2 | NT | NI | True | 5.613 | 38.513 |
| 41 | 1 | 0 | 2 | NT | NI | True | 4.256 | 38.513 |
| 42 | 3 | 0 | 3 | NT | NI | False | 1.609 | 66.737 |
| 43 | 4 | 1 | 2 | Tox | NI | True | 6.527 | 47.971 |
| 44 | 2 | 0 | 3 | Tox | NI | True | 2.926 | 71.741 |
| 45 | 2 | 0 | 3 | Tox | NI | True | 2.814 | 71.741 |
| 46 | 2 | 0 | 3 | Tox | NI | True | 2.814 | 71.741 |
| 47 | 2 | 0 | 3 | NT | NI | True | 1.717 | 35.16 |
| 48 | 4 | 3 | 0 | NT | NI | True | 7.318 | 34.601 |
| 49 | 4 | 2 | 1 | NT | NI | True | 6.936 | 34.601 |
| 50 | 0 | 0 | 2 | NT | NI | True | 5.782 | 30.111 |
| 51 | 4 | 3 | 5 | NT | NI | False | −2.338 | 144.872 |
| 53 | 2 | 0 | 3 | NT | NI | True | 2.317 | 55.814 |
| 54 | 1 | 0 | 2 | Tox | NI | True | 3.77 | 61.951 |
| 55 | 2 | 0 | 2 | Tox | I | True | 2.394 | 59.328 |
| 56 | 4 | 3 | 2 | NT | NI | True | 7.607 | 30.111 |
| 57 | 1 | 0 | 2 | NT | NI | True | 3.309 | 38.513 |
| 58 | 1 | 0 | 3 | NT | NI | False | 2.864 | 38.513 |
| 59 | 2 | 0 | 3 | Tox | I | True | 2.532 | 62.036 |