Table 7. ADME properties of the phytoconstituents of interest.
Compound ID | GI absorption | BBB permeant | Pgp substrate | CYP inhibition (CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4) | Lipinski violations | Ghose violations | Veber violations | Egan violations | Muegge violations |
---|---|---|---|---|---|---|---|---|---|
C_8 | High | No | No | 0/5 | 0 | 0 | 0 | 0 | 0 |
C_13 | Low | No | Yes | 0/5 | 3 | 1 | 1 | 1 | 3 |
C_15 | High | No | No | 1/5 | 0 | 0 | 0 | 0 | 0 |
C_16 | Low | No | Yes | 0/5 | 3 | 1 | 1 | 1 | 3 |
C_20 | Low | No | Yes | 0/5 | 3 | 1 | 1 | 1 | 3 |
C_26 | Low | No | No | 0/5 | 0 | 1 | 1 | 1 | 0 |
C_27 | Low | No | No | 0/5 | 0 | 1 | 0 | 1 | 0 |
C_31 | Low | No | No | 0/5 | 1 | 1 | 1 | 1 | 2 |
C_44 | High | No | No | 3/5 | 0 | 0 | 0 | 0 | 0 |
C_45 | Low | No | No | 0/5 | 2 | 0 | 1 | 1 | 3 |
C_48 | High | No | No | 3/5 | 0 | 0 | 0 | 0 | 0 |
C_50 | High | No | No | 3/5 | 0 | 0 | 0 | 0 | 0 |
C_51 | Low | No | No | 2/5 | 1 | 0 | 1 | 1 | 2 |
C_52 | High | No | No | 3/5 | 0 | 0 | 0 | 0 | 0 |
C_54 | High | No | No | 3/5 | 0 | 0 | 0 | 0 | 0 |