Submission Details
Molecule(s):
CN1CCc2cccc3cncc(c23)NC(=O)C2CN(CC1=O)Cc1ccccc12
Design Rationale:
Looking at the bound conformation of MAT-POS-4223bc15-23 - wondering if there are any opportunities to macrocyclize and increase the population of a bioactive conformation. In addition to biological activity, macrocyclization can have beneficial effects upon ADME / PK, etc. This is one of many macrocyclic compounds that could be designed (they look more appealing in a ChemDraw file!)