Bioorganic & Medicinal Chemistry 2008-01-01

Structure–activity correlations for β-phenethylamines at human trace amine receptor 1

Anita H. Lewin, Hernán A. Navarro, S. Wayne Mascarella, Anita H. Lewin, Hernán A. Navarro, S. Wayne Mascarella

Index: Bioorg. Med. Chem. 16 , 7415-23, (2008)

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Abstract

CoMFA 3D-QSAR studies on the potency of 68 β-phenethylamine analogs to activate hTAAR 1 (61% steric, 39% electrostatic) indicates that bulk both at nitrogen and 4-aryl leads to lower potency.