Table 1 Details of predicted in silico ADMET risk range and risk parameters of compound P-902 and standard anticancer drug topotecan.

From: 3D-QSAR studies on Maslinic acid analogs for Anticancer activity against Breast Cancer cell line MCF-7

Risk

Absorption

P450 oxidation

Mutagenicity

Toxicity

ADMET Risk

Risk Parameters

Range

0–8

0–6

0–4

0–7

0–24

 

P-902

3.26

0.0

0.0

0.96

4.22

Size, charge, water solubility, lipophilicity

Topotecan (control)

0.0

0.0

2.0

2.0

2.0

Hepatotoxicity, inhibition of 3A4 oxidation of midazolam

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