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. 2022 Feb 22;12(7):3103–3112. doi: 10.1016/j.apsb.2022.02.012

Table 4.

Drug-like profiles of 15.

Parameter Value
clogPa 3.4
tPSAa 84
Solubility (pH 7.3)b 4 μg/mL
Human plasma protein binding 97.6%
Unbound brain concentrationc 114 ng/g
Cytochrome P450 inhibition (IC50)
CYP2C19 19 μmol/L
CYP2C9, 2D6, 1A2 >25 μmol/L
CYP3A4-M, 3A4-T >50 μmol/L
hERG inhibition (IC50) >40 μmol/L
Acute toxicity >1.5 g/kg
a

cLogP and tPSA were predicted by Discovery Studio.

b

The solubility was tested by HPLC.

c

After an oral dose of 5.0 mg/kg at 4 h in C57BL/6J mice.