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ACD/ADME predicted data indicated that(1)diethyl ethylphosphonate could be absorbed in small intestine rapidly;(2)it may pass the BBB moderately;(3)its oral bioavailability may be at a high level;(4)it could bind with plasma proteins with a binding rate of 32%;(5)it would not be an inhibitor or substrate of P-gp; and(6)it would not be an inhibitor of CYP450, and it could be metabolized into corresponding metabolites, like diethyl phosphate, excreted by the urine. The calculated data from DS/ADMET suggested: (1) diethyl ethylphosphonate could pass the BBB moderately; (2) it could absorbed in small intestine moderately; (3) it could not be an inhibitor of CYP450 2D6; (4) its binding rate on plasma protein would be less than 90%.

Combined the predicted data from both software and corresponding literature reported data of similar compounds, it was predicted that diethyl ethylphosphonate could be absorbed in small intestine and its oral bioavailability would be at high level. It may pass the BBB moderately. The binding ratio on plasma proteins would be less than 90%. It would be a non-inhibitor or non-substrate of P-gp. It would not be an inhibitor of CYP450 and could be metabolized by corresponding enzymes to produce diethyl phosphate, then excreted by the urine.

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