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. 2023 Sep 13;9(9):e20100. doi: 10.1016/j.heliyon.2023.e20100

Table 9.

Absorption, distribution, metabolism, excretion, toxicity (ADMET) and drug-likeliness prediction of the isolated compounds.

Properties Model name (Unit) Compounds
Licarin B (1) Stigmasterol (2)
Absorption Water solubility (log mol/L) −5.195 −6.682
Caco2 permeability (log Papp in 10−6 cm/s) 2.236 1.213
Intestinal absorption (human) (% absorbed) 96.573 94.97
Skin Permeability (log Kp) −2.496 −2.783
P-glycoprotein substrate Yes No
P-glycoprotein I inhibitor Yes Yes
P-glycoprotein II inhibitor No Yes
Distribution VDss (human) (log L/kg) 0.502 0.178
BBB permeability (log BB) −0.136 0.771
CNS permeability (log PS) −1.528 −1.652
Metabolism CYP2D6 substrate No No
CYP3A4 substrate Yes Yes
CYP2D6 inhibitior No No
CYP3A4 inhibitior No No
Excretion Total Clearance (log ml/min/kg) 0.034 0.618
Renal OCT2 substrate Yes No
Toxicity AMES toxicity No No
hERG I inhibitor No No
Hepatotoxicity No No
Skin Sensitization No No
Oral Rat Acute Toxicity (LD50) (mol/kg) 2.416 2.54
Oral Rat Chronic Toxicity (LOAEL) (log mg/kg_bw/day) 1.837 0.872
Drug-likeness Lipinski's Rule of Five Yes Yes
Bioavailability Score (%) 0.55 0.55