Table 4. ADMET prediction of OXB2.
Parameter | Value /Predictive result | Parameter | Value /Predictive result |
Ames mutatest | Negative | HIA | 96.623102 |
SK log S pure | -1.9298 | CYP3A4 substrate | Weakly |
SK log S buffer | -1.59987 | CYP3A4 inhibition | Non |
SK log P value | 1.15268 | CYP2D6 substrate | Non |
SK log D value | 1.15268 | CYP2D6 inhibition | Non |
Skin Permeability | -4.1626 | CYP2C9 inhibition | Non |
Pure water solubility mg/l | 2894.73 | CYP2C19 inhibition | Non |
Plasma Protein Binding | 52.137421 | Caco2 | 19.5815 |
Pgp inhibition | Non | Buffer solubility mg/l | 6187.83 |
MDCK | 17.4024 | BBB | 0.554267 |
BBB (Blood Brain Barrier): High absorption CNS >2.0, Middle absorption CNS 2.0–0.1, Low absorption CNS <0.1 Caco2: High permeability >70, Middle permeability 4–70, Low permeability >4 HIA (Human Intestinal Absorbance): Well absorbed compounds 70–100%, moderately absorbed compounds 20–70%, Poorly absorbed compounds 0–20%. PPB (Plasma Protein Binding): Strongly Bound >90%, Weakly Bound <90%, MDCK: Higher permeability >500, Medium Permeability 25–500, lower permeability >25. |