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Table 4 Pharmacokinetic and toxicity prediction of diazepam, compound 8k, and compound 8L

From: Hybridization of the effective pharmacophores for treatment of epilepsy: design, synthesis, in vivo anticonvulsant activity, and in silico studies of phenoxyphenyl-1,3,4-oxadiazole-thio-N-phenylacetamid hybrids

Druglikeness/ADME/Ta

Compound

Diazepam

8k〹

8L〹

Rule of five

Suitable

Suitable

Suitable

Caco-2

47.6856

1.16966

1.62582

HIA

99.498312

96.206353

96.206446

BBB score

0.125

0.038

0.038

Ames test

Mutagen

Mutagen

Mutagen

Carcino mouse

Negative

Negative

Negative

Carcino rat

Negative

Negative

Negative

hERG inhibition

Medium risk

Low risk

Low risk

  1. aThe recommended ranges for Caco2: <25 poor, > 500 great, HIA: >80% is high < 25% is poor, BBB score > 0.02, and Skin_Permeability = − 8.0 – − 1.0.
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BMC Chemistry

ISSN: 2661-801X

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