Table 10. Bioactivity Scores, Drug Properties, and Toxicity Risks of 5a–ja.
| bioactivity |
drug properties |
toxicity risks |
||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| entry | GPCRL | ICM | KI | NRL | PI | EI | drug-likeness | drug score | Mut | Tum | Irrit | R.E. |
| 5a | –0.20 | 0.14 | –0.20 | –0.46 | 0.01 | 0.11 | –32.76 | 0.42 | green | green | green | green |
| 5b | –0.24 | 0.07 | –0.27 | –0.33 | 0.02 | 0.10 | –34.08 | 0.08 | green | green | green | green |
| 5c | –0.46 | 0.01 | –0.47 | –0.51 | –0.07 | 0.02 | –33.04 | 0.43 | green | green | green | green |
| 5d | –0.64 | –0.12 | –0.56 | –0.68 | –0.23 | –0.11 | –34.72 | 0.33 | green | green | green | green |
| 5e | –0.45 | –0.04 | –0.44 | –0.59 | –0.09 | –0.03 | –30.14 | 0.44 | green | green | green | green |
| 5f | –0.49 | –0.04 | –0.46 | –0.62 | –0.18 | –0.08 | –38.50 | 0.34 | green | green | green | green |
| 5g | –0.21 | 0.20 | –0.29 | –0.58 | 0.01 | 0.15 | –25.33 | 0.16 | green | green | green | green |
| 5h | –0.47 | –0.01 | –0.65 | –0.75 | –0.06 | 0.10 | –25.97 | 0.15 | green | green | green | green |
| 5i | –0.47 | 0.06 | –0.57 | –0.61 | –0.07 | 0.06 | –25.68 | 0.16 | green | green | green | green |
| 5j | –0.66 | –0.07 | –0.66 | –0.79 | –0.22 | –0.08 | –27.42 | 0.14 | green | green | green | green |
a
GPCRL: G protein-coupled receptor ligand; ICM: ion channel modulator; KI: kinase inhibitor; NRL: nuclear receptor ligand; PI: protease inhibitor; EI: enzyme inhibitor; Mut: mutagenic; Tum: tumorigenic; Irrit: irritant; R.E.: reproductive effect; green: green color indicates drug-conform behavior.