Table 3 Computed pharmacokinetic parameters of the screened compounds
S/N | CID | GI Absorption | BBB Permeability | PGP Substrate | CYP1A2 Inhibitor | CYP2CI9 Inhibitor | CYP2C9 Inhibitor | CYP2D6 Inhibitor | Log Kp (cm/s) |
|---|---|---|---|---|---|---|---|---|---|
1 | N,N-Diethylurea | High | No | No | No | No | No | No | -7.17 |
2 | 1,3- Cyclohexanediol | High | No | No | No | No | No | No | -6.86 |
3 | 6-Methyl-2-heptyne | Low | Yes | No | No | No | No | No | -4.71 |
4 | N- Acetylethylenediamine | High | No | No | No | No | No | No | -7.92 |
5 | Cyclopropanecarboxamide | High | No | No | No | No | No | No | -7.10 |
6 | N-Acetyl-L-methionine | High | No | No | No | No | No | No | -7.43 |
7 | Succinic acid | High | No | No | No | No | No | No | -7.44 |
8 | Thrimethoprim | High | No | Yes | No | No | No | No | -7.75 |