Optimizing the layout: drug parameters that new drug R&D workers should pay attention to

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Reduce side effects

Medicinal chemistry and organic chemistry have certain similarities, but there are far more uncertain factors in medicinal chemistry than organic chemistry
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Organic chemistry can infer the possible reaction mechanism through structure, but medicinal chemistry cannot predict the biological activity of a compound through structure, and it cannot predict its toxic and side effects
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Compound 18 is an H1 receptor blocker, which can inhibit the potassium channel of the heart and prolong the QT wave.
However, because the derivative can cause arrhythmia and even sudden death, it was withdrawn from the market
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Studies on its pharmacokinetics have found that after a methyl group in its tert-butyl group is easily metabolized into a carboxyl group, it is still an H1 receptor blocker, but it does not inhibit the hERG channel, so it becomes a second-generation antihistamine.

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summary

Biological activity is the basis of drugs, and water solubility, oil-water partition coefficient, dissociability, metabolic pathways, and toxic and side effects are necessary conditions for whether a compound can eventually become a drug.
The two are mutually dependent
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