Submission Details
Molecule(s):
EMI-TUK-6c6b371f-1
Duplicate of:
EMI-TUK-b780fc43-1
CC(=O)CC1CCN(c2cccnc2)C(=O)N1c1cccnc1
Design Rationale:
Combine non-covalent X0434 with prominent common demeaner of covalent fragments, the acetyle function. The hexahydropyrimidine may facilitate the correct orientation. However the flexibility of a chain may facilitate entry into the cavity. This comes at the cost of having to protect the second amine (for example with a methyle group). The chain length may be varied, estimation by eye suggests two methylene groups are required to bridge to the acetyle function.
Other Notes:
Synthesis of a more symmetric molecule might be easier, therefore the phenyl group of the X0434 backbone was substituted by a pyridine.