1048435-33-1Relevant articles and documents
The design, preparation and SAR of novel small molecule sodium (Na +) channel blockers
Ashwell, Mark A.,Lapierre, Jean-Marc,Kaplan, Alan,Li, Jenny,Marr, Christopher,Yuan, Jin
, p. 2025 - 2030 (2007/10/03)
A parallel strategy incorporating predictive modeling of both sodium site 2 blocking activity and cytochrome P450 CYP2D6 enzyme activity as well as experimental data from ADME profiling (eADME) has been applied to the design of new small molecule sodium channel blockers. New structural motifs were identified, which combined sodium channel activity with decreased ADME liabilities. Compounds 10h (site 2, IC50=531nM) and 7j (site 2, IC50=149nM) were identified from two structural classes as sodium channel blockers with favorable in vitro eADME profiles.