Table 3.
ADME properties of the newly designed substituted indole derivatives (3a−j) with phenylsulfonylhydrazone fragment (–C=N–NH–SO2–Ar) and 1,2-bis-indole hydrazine derivative (4): water solubility; GI absorption—gastrointestinal absorption; oral BA—oral bioavailability; BA score—bioavailability score; BBB permeability—blood–brain barrier permeability; CYP inhibition—inhibition of CYP enzymes; P-gp substrate—substrate of P-gp; drug likeness; synthetic access—synthetic accessibility.
| ID | Water Solubility | GI Absorption | Oral BA | BA Score | BBB Permeability | CYP Inhibition | P-gp Substrate | Drug Likeness | Synthetic Access | 
|---|---|---|---|---|---|---|---|---|---|
| 3a | moderate | high | INSATU | 0.55 | no | 2/5 | no | yes | 2.78 | 
| 3b | moderate | high | INSATU | 0.55 | no | 3/5 | no | yes | 3.07 | 
| 3c | moderate | high | INSATU | 0.55 | no | 4/5 | no | yes | 2.67 | 
| 3d | poor | high | INSATU | 0.55 | no | 4/5 | no | yes | 2.96 | 
| 3e | moderate | high | INSATU | 0.55 | no | 4/5 | no | yes | 2.67 | 
| 3f | moderate | high | INSATU | 0.55 | no | 4/5 | no | yes | 2.57 | 
| 3g | moderate | high | INSATU | 0.55 | no | 4/5 | no | yes | 2.65 | 
| 3h | poor | high | INSATU | 0.55 | no | 4/5 | no | yes | 2.95 | 
| 3i | moderate | high | INSATU | 0.55 | no | 4/5 | no | yes | 2.84 | 
| 3j | moderate | high | INSATU | 0.55 | no | 4/5 | no | yes | 2.84 | 
| 4 | poor | high | INSATU | 0.55 | yes | 4/5 | no | yes | 2.40 |