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. 2022 Sep 21;74(5):890–908. doi: 10.1007/s43440-022-00414-8

Table 3.

ADMET properties of TP1–TP10

Parameter Compound
TP1 TP4 TP5 TP6 TP7 TP8 TP9 TP10
Absorption

Caco-2

Permeability

 − 4.475 − 4.574 − 4.637 − 4.663 − 4.650 − 4.695 − 4.660 − 4.701

MDCK

Permeability

 2.71 × 10–5 3.23 × 10–5 2.67 × 10–5 2.49 × 10–5 2.09 × 10–5 2.53 × 10–5 2.78 × 10–5 2.50 × 10–5
Distribution
VD 0.436 0.517 0.559 0.608 0.583 0.550 0.498 0.570

BBB

Penetration

 Yes Yes Yes Yes Yes Yes Yes Yes
Metabolism
CYP1A2 0.657 0.951 0.955 0.924 0.934 0.887 0.901 0.947
CYP2C19 0.539 0.977 0.977 0.968 0.974 0.969 0.973 0.975
CYP2C9 0.659 0.955 0.961 0.965 0.965 0.961 0.963 0.963
CYP2D6 0.068 0.586 0.602 0.611 0.700 0.607 0.563 0.567
CYP3A4 0.687 0.766 0.850 0.815 0.821 0.897 0.923 0.840
Excretion
T1/2 0.148 0.313 0.220 0.089 0.095 0.130 0.162 0.211
Toxicity

hERG

Blockers

 0.013 0.027 0.035 0.052 0.106 0.057 0.127 0.041

AMES

Toxicity

 0.046 0.236 0.114 0.133 0.159 0.182 0.272 0.097

Caco-2—log cm/s (proper value > –5.15log cm/s), MDCK—cm/s (high > 2 × 10–5 cm/s, low < 0.2 × 10–5 cm/s), CYP, T1/2, hERG, AMES—probability, VD—L/kg (proper range 0.04–20 L/kg)