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ADMET profiling of compound S1.
| Compound | ADMET analysis | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| P-gp | Cyp450 substrate | CYP450 Inhibitor | |||||||||||||||
| BBB | HIA | Solubility | Substrate | Inhibition | ROCT | 2C9 | 2D6 | 3A4 | 1A2 | 2C9 | 2D6 | 2C19 | 3A4 | CYP IP | AMES | Carcinogens | |
| S1 | − | + | − 3.25 | + | − | − | + | − | − | − | − | − | − | − | Low | − | − |
BBB blood–brain barrier; HIA human intestinal absorption; CYP450 cytochrome P450; CYP IP CYP inhibitory promiscuity; ROCT renal organic cation transportation; + present; − not present.
