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Table 4 Toxicity of the potential inhibitors from pkCSM server

From: Prospect into therapeutic potentials of Moringa oleifera phytocompounds against cancer upsurge: de novo synthesis of test compounds, molecular docking, and ADMET studies

Compound ID AMES toxicity hERG I inhibitor hERG II inhibitor Hepatotoxicity Skin sensitization
ML2 No No No No No
ML4 No No No Yes Yes
ML5 No No No No Yes
ML6 No No No No Yes
ML7 No No Yes No Yes
ML8 No No No No Yes
ML9 No No No No No
ML10 No No Yes No Yes
ML11 No No No Yes Yes
ML12 No No No No Yes
ML13 No No No No No
ML14 No No No No Yes
ML15 No No Yes No No
MS1 No No No No Yes
MS2 No No No No No
MS3 No No No No Yes
MS4 No No No Yes Yes
MS5 No No Yes No Yes
Compound ID MTD (Human) Log (mg/kg/day) LD50 (mol/kg) LOAEL Log (mg/kg_bw/day) T.pT Log (µg/L) MT Log (mM)
ML2 0.486 1.573 2.366 0.597 0.522
ML4 0.739 1.967 1.947 1.131 0.893
ML5 0.081 2.118 2.015 1.690 0.205
ML6 0.021 1.534 1.120 2.065 − 0.850
ML7 0.133 1.603 1.043 1.903 − 1.590
ML8 1.178 1.635 2.998 1.935 − 1.373
ML9 0.328 2.754 3.415 0.285 − 6.020
ML10 0.133 1.603 1.043 1.903 − 1.590
ML11 − 0.943 1.604 3.251 0.366 − 1.438
ML12 0.228 1.725 2.815 2.120 − 1.744
ML13 0.442 2.552 0.529 0.285 − 13.725
ML14 0.085 1.503 1.122 2.010 − 1.236
ML15 1.236 1.332 2.733 0.676 − 3.150
MS1 0.178 1.635 2.998 1.935 − 1.373
MS2 0.328 2.754 3.415 0.285 − 6.020
MS3 0.040 1.637 3.075 1.529 − 1.727
MS4 − 0.943 1.604 3.251 0.366 − 1.438
MS5 − 0.245 1.773 0.920 1.637 − 1.120
  1. AMES mutagenicity, hERG human ether-a-go-go gene, MTD maximum tolerated dose, LD50 oral rat acute toxicity, LOAEL oral rat chronic toxicity, T.pT T. pyriformis Toxicity, MT minnow toxicity