202664-80-0Relevant articles and documents
A 3D-quantitative structure-activity relationship study of benzamide type serotonin 5-HT4 receptor agonists based on a comparative molecular field analysis model, and the design and synthesis of potent agonists
Kakigami,Tsuruta,Tsukamoto,Usui,Ikami
, p. 1881 - 1886 (2007/10/03)
A 3D-quantitative structure-activity relationship (3D-QSAR) study was carried out using comparative molecular field analysis (CoMFA) of the 5-HT4 agonistic activity of benzamide type compounds, which had been already synthesized and reported to show 5-HT4 agonistic activity. The chosen alignment yielded a good cross-validated result (r(cv)/2=0.628). This CoMFA model was able to predict the 5-HT4 agonistic activity of three structurally different compounds. Consequently, 5-amino-N-[2-(1-azabicyclo[3.3.0]octan-5- yl)ethyl]-6-chloro-3,4-dihydro-2H-1-benzopyran-8-carboxamide (22) was obtained as the most potent 5-HT4 agonist.