Metabolism, pharmacokinetics and toxicity of functional by Dennis A Smith; Royal Society of Chemistry (Grande-Bretagne) PDF
By Dennis A Smith; Royal Society of Chemistry (Grande-Bretagne)
ISBN-10: 1849730164
ISBN-13: 9781849730167
ISBN-10: 1849731101
ISBN-13: 9781849731102
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Extra info for Metabolism, pharmacokinetics and toxicity of functional groups : impact of chemical building blocks on ADMET
Sample text
149,150 It is widely accepted that the withdrawal of compounds like Terfenadine and Cisapride has had a considerable impact on the pharmaceutical industry, particularly in terms of designing compounds that are less likely to have affinity for the hERG channel. 81,151 Therefore, it is not only the structure of compounds but also their physicochemical properties which can influence their toxicological profile, significantly adding to the complexity of compound attrition. Attrition rates have also been analysed in terms of different disease areas and target class, finding that for example that the attrition rate of kinase inhibitors in oncology is only 53% compared with the overall attrition rate of anti-cancer drug candidates of 82%.
This is the case particularly in the gene family of kinases, where a large number of scaffolds are able to mimic adenosine triphosphate (ATP) and adenosine diphosphate (ADP), which bind in the hinge region of the catalytic domain of kinases. 4 Privileged Substructures in Drugs The concept that similar molecules act in a similar manner is a fundamental principle of medicinal chemistry. 88 The concept of SAR forms the basis of analogue-based discovery89 and has been validated through decades of empirical observations.
125 All the compounds discussed above for various indications all contain the common privileged substructure phenylsulfonamide. Although the reasons are not completely understood, it can therefore be concluded that this substructure appears to have physicochemical as well as binding properties which are favourable in pharmacologically active compounds. One reason could be that the sulfonamide group introduces polarity, which can place compounds in a favourable region of chemical space with regards to drug properties like for example for clearance.
Metabolism, pharmacokinetics and toxicity of functional groups : impact of chemical building blocks on ADMET by Dennis A Smith; Royal Society of Chemistry (Grande-Bretagne)
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