ADMET properties of potential ICL inhibitors.

Abbreviations: BBB (blood-brain barrier); HIA (human intestinal absorption); Caco-2 (Caco-2 permeability); P-gp (P-glycoprotein); ROCT (renal organic cation transporter); CYP450 (cytochrome P450); CYP IP (CYP inhibitory promiscuity); HERG (human ether-a-go-go-related genes); RAT (rat acute toxicity); FT (fish toxicity); TPT (Tetrahymena pyriformis toxicity).BBB, HIA, Caco-2, and aqueous solubility indicate the bioavailability of the drug in terms of absorption into the human body; P-gp, CYP450, and CYP IP indicate the metabolism, clearance, and risk of drug-drug interaction with the co-administered drug; ROCT indicates the renal excretion of the drug; HERG indicates the risk of cardiotoxicity caused by the drug; AMES toxicity indicates the risk of carcinogenicity and genotoxicity caused by the drug; RAT, LD50 is the lethal dosage of drug when tested on mice; FT and TPT are the environmental risk assessments of the drug based on fish and Tetrahymena pyriformis as environmental indicators, respectively.