Submission Details
Molecule(s):
N=C(N)c1cccc(N(C(=O)Nc2cccnc2)c2ccccc2)c1
O=C(Nc1cccnc1)N(c1ccccc1)c1cccc([N+](=O)[O-])c1
O=C(O)c1cccc(N(C(=O)Nc2cccnc2)c2ccccc2)c1
O=C(Nc1cccnc1)N(CCC[N+](=O)[O-])c1ccccc1
O=C(O)CCCN(C(=O)Nc1cccnc1)c1ccccc1
NC(N)=NCCN(C(=O)Nc1cccnc1)c1ccccc1
N=C(N)CCCN(C(=O)Nc1cccnc1)c1ccccc1
Design Rationale:
Combine X0434 with X0991 to add the "chelating interaction" of X0091 to X0434. The aromatic bridge between the two fragments ensures planarity, as the proximity of the binding motifs require such a relation. One can try different functions here, that are capable of "chelating interactions". One could also hope for self assembly when using a chained bridge. This may have the benefit of easier entry into the cavity.
Other Notes:
The activity may be pH dependent, especially for the carbonic acids. One may want to swap the trifunctionalized amine (meaning no H substituent) for a carbon, if this makes synthesis easier. It serves no special purpose other than keeping close analogy to X0434.