ADMET analysis and toxicological screening of 20 synthesized compounds using Discovery Studio.
| Compounds | ADMET analysis | Toxicological screening | ||||
|---|---|---|---|---|---|---|
| CYP2D6 inhibitor | HT | AM | SI | OI | Oral toxicity | |
| CA1 | F | T | M | NI | NI | 6 |
| CA2 | F | T | M | NI | NI | 4.6 |
| CA3 | F | T | M | NI | NI | 1 |
| CA4 | F | T | M | NI | NI | 3.2 |
| CA5 | F | T | M | NI | NI | 6.8 |
| CE1 | F | F | M | NI | NI | 10 |
| CE2 | F | T | M | NI | NI | 10 |
| CE3 | F | T | M | NI | NI | 5.6 |
| CE4 | F | F | M | NI | NI | 10 |
| CE5 | F | F | M | NI | NI | 10 |
| PA1 | F | T | NM | NI | NI | 7.8 |
| PA2 | F | T | NM | NI | NI | 10 |
| PA3 | F | T | NM | NI | NI | 2.8 |
| PA4 | F | T | NM | NI | NI | 7.9 |
| PA5 | F | F | NM | NI | NI | 10 |
| PE1 | F | F | NM | NI | NI | 10 |
| PE2 | F | T | NM | NI | NI | 10 |
| PE3 | F | T | NM | NI | NI | 10 |
| PE4 | F | F | NM | NI | NI | 10 |
| PE5 | F | F | NM | NI | NI | 10 |