Submission Details
Molecule(s):
CNC1(CN2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CSC1
Design Rationale:
Docking by eye of structure MAT-POS-4223bc15-23 seems to allow room for an oxetane. The thietane and oxidized versions (SO, SO2) is generally hydrophilic (reduces Log P/D), which may increase metabolic stability. Additionally, the possibility for clearance by amidolysis (amide hydrolysis) is avoided, since an amide bond is removed.