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Table 2 Predicted ADMET properties of the esculetin

From: Esculetin induces antiproliferative and apoptotic response in pancreatic cancer cells by directly binding to KEAP1

Lipinski rule of five violations PSA BBB level Absorption level PPB level Solubility level CYP2D6 Hepatoxicity level
0 67.861 3 0 2 4 0 0
  1. BBB stands for blood brain barrier, PSA stands for Polar surface area, PBP stands for plasma protein binding, CYP2D6 stands for Cytochrome P450 2D6
  2. PSA (60–70 Å2)
  3. BBB level (0 very high, 1 high, 2 medium, and 3 very low)
  4. Absorption level (0 good, 1 moderate, 2 low, and 3 very low)
  5. PPB (0 very high, 1 high, 2 medium, and 3 very low)
  6. Solubility level (4 very high, 3 high, 2 medium, and 1 very low)
  7. CYP2D6 (0 non-inhibitor and 1 inhibitor)
  8. Hepatoxicity level (0 is non toxic, 1 is toxic)
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Molecular Cancer

ISSN: 1476-4598