Abstract
QSAR models have been used to evaluate activities for compounds in the phenoxyphenyl-methanamine (PPMA) class of compounds. These models utilize Hammett-type donating-withdrawing substituent values as well as simple parameters to describe substituent size and elucidate the SAR of the 'A' and 'B' rings. Using this methodology, intuitive QSAR relationships were found for the three biological activities with R(2) values of 0.73, 0.45, and 0.58 for 5HT(2A), SerT, and hERG activities.
MeSH terms
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Combinatorial Chemistry Techniques
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Depression / drug therapy
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Drug Design
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Ether-A-Go-Go Potassium Channels / metabolism*
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Methylamines / pharmacology*
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Models, Molecular
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Molecular Structure
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Quantitative Structure-Activity Relationship*
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Receptors, Serotonin / metabolism*
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Serotonin Plasma Membrane Transport Proteins / metabolism*
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Structure-Activity Relationship
Substances
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Ether-A-Go-Go Potassium Channels
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Methylamines
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Receptors, Serotonin
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SLC6A4 protein, human
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Serotonin Plasma Membrane Transport Proteins
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serotonin 5 receptor
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methylamine