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. 2022 Aug 29;28(9):279. doi: 10.1007/s00894-022-05286-6

Table 2.

ADME properties of the selected compounds predicted by SwissADME

Compound GIAa BBBPb CYP1A2 inhibitor CYP2C19 inhibitor CYP2C9 inhibitor CYP2D6 inhibitor CYP3A4 inhibitor Lipinski Log S
ZINC61991204 Low No No No No No No Yes  − 3.20
ZINC67910260 Low No No No No No Yes Yes  − 6.58
ZINC61991203 Low No No No No No No Yes  − 5.66
ZINC08790293 Low No No No No No Yes Yes  − 5.54

aGastrointestinal absorption

bBlood-brain barrier permanent