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. 2020 Oct 7;320:114493. doi: 10.1016/j.molliq.2020.114493

Table 3.

ADMET Profiling for absorption, metabolism and toxicity parameters of identified compounds.

Model NPACT01552 NPACT01557 NPACT00631
A. Absorption and distribution
Blood-brain barrier No No No
Human intestinal absorption High High High
Caco-2 permeability Yes Yes No
P-glycoprotein inhibitor Inhibitor Inhibitor Non inhibitor
Renal Organic cation transporter Non inhibitor Non inhibitor Non inhibitor



B. Metabolism
CYP450 2C9 Non inhibitor Non inhibitor Non inhibitor
CYP450 2D6 Non inhibitor Non inhibitor Non inhibitor
CYP450 3A4 Non inhibitor Non inhibitor Non inhibitor
CYP450 1A2 Non inhibitor Non inhibitor Non inhibitor
CYP450 2C19 Non inhibitor Non inhibitor Non inhibitor



C. Toxicity
AMES (mutagenicity) Non ames toxic Non ames toxic Non ames toxic
Carcinogens Non carcinogens Non carcinogens Non carcinogens