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Table 3 Druglikeness/ADME/T profile of acarbose and the most potent compounds 11d and 11n

From: Indole-carbohydrazide linked phenoxy-1,2,3-triazole-N-phenylacetamide derivatives as potent α-glucosidase inhibitors: design, synthesis, in vitro α-glucosidase inhibition, and computational studies

Druglikeness/ADME/Ta

Compound

Acarbose

11d

11n

Rule of five

Violated

Suitable

Suitable

Caco2

9.44448

3.03438

18.8466

HIA

0.000000

91.952780

94.030638

BBB

0.0271005

0.272919

0.411249

Skin permeability

− 5.17615

− 3.52204

− 3.34921

Ames test

Mutagen

Mutagen

Non-mutagen

Carcino mouse

Positive

Positive

Negative

Carcino rat

Negative

Negative

Positive

hERG inhibition

Ambiguous

High risk

High risk

  1. aThe recommended ranges for Caco2: < 25 poor, > 500 great, HIA: > 80% is high < 25% is poor, BBB = − 3.0–1.2, and Skin_Permeability = − 8.0 to − 1.0
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BMC Chemistry

ISSN: 2661-801X

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