Submission Details

Molecule(s):
CN1CCc2cccc3cncc(c23)NC(=O)C2CN(CC1=O)Cc1ccccc12

MAT-UNK-1d9ee2ed-1

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!)

Inspired By:
Discussion: