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. 2022 Aug 3;12:13337. doi: 10.1038/s41598-022-17573-6

Table 3.

pkCSM webserver analysis of ADMET properties for ZINC000104379474 compound.

Property Model name Predicted value
Absorption Water solubility − 2.899
Distribution Fraction unbound (human) 0.353
Blood–brain barrier permeability − 1.676
Metabolism CYP1A2 inhibitior No
CYP2C19 inhibitor No
CYP2C9 inhibitor No
CYP2D6 inhibitor No
CYP3A4 inhibitor No
Excretion Renal OCT2 substrate No
Toxicity AMES toxicity No
hERG I inhibitor No
hERG II inhibitor No
Hepatotoxicity No