ADMET properties of the top 10 hits.
| Compound | Absorption | Distribution | Metabolism | Excretion | Toxicity | |
|---|---|---|---|---|---|---|
| GI absorption (%) | Water solubility | BBB/CNS permeation | CYP2D6 inhibitor | OCT2 substrate | AMES | |
| Acetyldehydroanonaine | 98.82 | −5.01 | No | No | No | Yes |
| Hydroxysanguinarine | 100.00 | −33.25 | No | No | No | Yes |
| Stylopine | 94.37 | −2.70 | No | Yes | No | No |
| Corysamine | 85.01 | −2.89 | No | No | No | Yes |
| Irenolone | 91.52 | −4.61 | No | No | No | Yes |
| Dehydroroemerine | 98.22 | −5.68 | No | No | No | Yes |
| l-N-Acetylanonaine | 96.87 | −3.80 | No | No | No | Yes |
| Dehydroevodiamines | 99.69 | −3.79 | No | No | Yes | No |
| Elliptinone | 93.49 | −3.99 | No | No | No | Yes |
| Chitranone | 91.26 | −4.38 | No | No | No | Yes |
| Silmitasertib | 99.25 | −3.30 | No | Yes | No | No |
| Wortmannin | 100.00 | −4.08 | No | No | No | No |