Submission Details
Molecule(s):
CO[C@H]1CN(C(=O)CCl)CCN1Cc1cc(Cl)cc(Cl)c1
Design Rationale:
The reasoning my the above compound is due the piperazine chloroacetamide being a pharmacophore of several compounds that I found inspiration from. The two chlorines on the benzyl group in the 3 and 5 positions showed to be more potent than just the singular chloro group. Additionally, the isopropyl group on the piperazine showed potential to increase potency, but in the crystal structure, there appears to be a Threonine in the region, so the methoxy group might form a stronger hydrogen bond than the isopropyl group while staying more hydrophobic.