Submission Details
Molecule(s):
O=C(NC1CCCCC1NC(=O)C1CCCCC1)c1ccncc1
O=C(NC1CCCCC1NC(=O)c1ccncc1)c1ccccc1
CN1CCC(C(=O)NC2CCCCC2NC(=O)C2CCCCC2)CC1
CN1CCC(C(=O)NC2CCCCC2NC(=O)c2ccccc2)CC1
O=C(NC1CCCCC1C(=O)N1CCOCC1)c1ccccc1
O=C(C1CCCN1C(=O)c1ccccc1)N1CCOCC1
O=C(CCl)NCC(=O)C1CCCN1C(=O)c1ccccc1
O=C(CCl)NCC(=O)C1CCCN1C(=O)C1CCCCC1
CN(CC(=O)C1CCCN1C(=O)c1ccccc1)C(=O)CCl
Design Rationale:
Insert of a different scaffolds (1,2-diamino-cyclohexyl or carboxyaminocyclohexyl or proline) which could direct the two fragment into the enzyme subpockets, by creating a L-shape to the molecule. Addtional methyl on the eventual glycine portion has been placed in order to prevent metabolism.
Other Notes:
Easy synthesis, almost only couplings and simple protection/deprotections are needed