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Table 7 Predicted ADMET properties of the designed compounds

From: Chemo-informatics activity prediction, ligand based drug design, Molecular docking and pharmacokinetics studies of some series of 4, 6-diaryl-2-pyrimidinamine derivatives as anti-cancer agents

S/NO Absorption Intestinal Absorption Distribution BBB permeability (Log BB) CNS permeability (Log PS) Metabolism substrate inhibitors Excretion Tolerance clearance Toxicity AMES toxicity
2D6 3A4 1A2 2C19 2C9 2D6 3A4
N1 83.841  − 1.571  − 3.111 NO NO NO YES YES NO YES 0.631 NO
N2 88.437  − 1.532  − 2.930 NO NO NO YES YES NO YES 0.730 NO
N3 83.763  − 1.593  − 3.112 NO NO YES YES YES NO YES 0.635 NO
N4 80.522  − 1.665  − 3.198 NO NO NO YES NO NO YES 0.695 NO
N5 80.966  − 1.839  − 3.172 NO NO NO YES NO NO YES 0.631 NO