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. 2024 Nov 28;10(23):e40728. doi: 10.1016/j.heliyon.2024.e40728

Table 9.

ADMET prediction of the top ten selected compounds from Chloranthus elatior leaf extract.

L/N
Absorption
Distribution
Metabolism
Excretion
Toxicity
Ligand no. Lipophilicity Intestinal absorption (human) Yes/No
75 %+
BBB permeability Yes/No CNS
Permeability (log PS)
CYP3A4substrate (Yes/No) CYP3A4 inhibitor (Yes/No) Total Clearance(ml/min/kg) Renal OCT2 substrate((Yes/No) Max. Tolerated dose (human) mg/kg/day Hepatotoxicity
L-10 0.99 98.59 −1.10 −3.22 Yes No −0.77 No −1.63 No
L-17 2.82 92.29 −0.39 −2.94 No Yes 0.52 No 0.55 No
L-01 2.30 95.80 0.36 −2.86 No No 1.12 No 0.35 No
L-03 2.68 99.06 0.09 −2.73 No No 0.58 No 0.18 No
L-06 1.88 97.21 0.07 −2.88 No No 0.96 No 0.27 No
L-07 0.99 75.19 0.11 −2.98 No No 1.00 No 0.40 No
L-22 2.18 99.07 0.65 −2.43 Yes No 0.47 Yes 0.18 No
L-04 2.56 99.38 0.09 −2.73 No No 1.05 No 0.19 No
L-15 3.31 92.32 −0.32 −2.36 Yes Yes 0.32 No 0.89 No
L-09 1.55 95.96 −0.24 −2.97 No No 1.01 No 0.44 No

Note: Log P = High Lipophilicity (acceptance range: <5).