Table 1 Predicted physicochemical properties of the tested hydroxyindoles obtained through in silico analysis.
From: The role of hydroxyindoles in protecting neuronal cultures from ferroptosis
Compounds | CAS number | MW (Desired CNS drug-likeness ≤ 360) | MLogP (Desired CNS drug-likeness ≤ 4.15) | BBB permeability |
|---|---|---|---|---|
3-HI | 480-93-3 | 133.15 g/mol | 0.91 | Yes |
5-HI | 1953-54-4 | 133.15 g/mol | 0.91 | Yes |
6-HI | 2380-86-1 | 133.15 g/mol | 0.91 | Yes |
7-HI | 2380-84-9 | 133.15 g/mol | 0.91 | Yes |
Serotonin (5-HT) | 153-98-0 | 176.22 g/mol | 0.65 | Yes |
5-HIAA | 54-16-0 | 191.18 g/mol | 0.53 | No |
