Submission Details
Molecule(s):
O=C(c1cncc2ccccc12)C1CCN(c2cccc(Cl)c2)CC1
O=C(c1cncc2ccccc12)C(F)(F)C1CN(c2cccc(Cl)c2)C1
O=C(c1cncc2ccccc12)C(F)(F)CC1CN(c2cccc(Cl)c2)C1
Design Rationale:
Reversible covalent inhibitors based on some of quinolones; quinoline can remove some electron density from ketone, especially considering that it is bound by hydrogen bond donor when docked
Other Notes:
Fluorinated ketones will be probably stable as hydrates