Table 2.
Toxicological assessments, druggability, and drug-likeness properties of the lead compounds predicted.
| Control | PubChem CID | Compound | A | B | C | D | E | RO5 | Drug-Likeness |
|---|---|---|---|---|---|---|---|---|---|
| Tau | 5281327 | Brassicasterol | - | - | - | - | 890 | Yes | −1.2 |
| 15694360 | Floribundic acid | - | - | - | + | 274 | Yes | −4.0 | |
| 5280805 | Rutin | - | - | - | - | 500 | No | 1.93 | |
| 936 | Nicotinamide | - | - | - | - | 250 | Yes | −0.6 | |
| Amyloid beta | 73062 | Kaurenoic acid | + | - | - | - | 100 | Yes | −6.1 |
| 5281327 | Brassicasterol | - | - | - | - | 890 | Yes | −1.2 | |
| 5280805 | Rutin | - | - | - | - | 500 | No | 1.93 | |
| 91973920 | Grapeseed extract | - | - | - | - | 2500 | No | 1.83 | |
| AT1R | 5280805 | Rutin | - | - | - | - | 500 | No | 1.93 |
| 5317667 | Glucobrassicin | - | - | - | - | 200 | Yes | −3.1 | |
| 15694360 | Floribundic acid | - | - | - | + | 274 | Yes | −4.0 | |
| 65999 | Telmisartan | - | - | - | - | 500 | No | 0.95 |
A = hepatotoxicity, B = carcinogenicity, C = mutagenicity, D = cytotoxicity, E = predicted LD 50 (mg·kg−1) (in mice), and RO5 = rule of five by Christopher A. Lipinski.