Submission Details
Molecule(s):
O=C1CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccc(cc23)CCCN1
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!)