Submission Details
Molecule(s):
C=CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
C#CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
C=CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
C#CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
O=C(Nc1ccccc1)C1CCc2sccc2C1
O=C(Nc1ccccc1)N1CCc2sccc2C1
O=C(Nc1ccccc1)C1CCN(C(=O)C2CO2)CC1
O=C(Nc1ccccc1)C1CCN(C(=O)CB(O)O)CC1
O=C(Nc1ccccc1)C1CCN(CCCl)CC1
O=S(=O)(c1c(F)cccc1F)N1CCc2sccc2C1
O=S(=O)(c1c(F)cccc1F)N1CCN(CCCl)CC1
O=C(C1CO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
O=C(CB(O)O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
O=C(Nc1ccccc1)C1CCN(CB(O)O)CC1
O=S(=O)(c1c(F)cccc1F)N1CCN(CB(O)O)CC1
Design Rationale:
1) Michael acceptors as replacement for Chloroacetamides. 2) Epoxide as covalent binder by ring opening can replace Chloroacetamides in the current leads. 3) Tetrahydrobenzothiophene ring opens by thiol as covalent binder which is known in Clopidogrel drug. 4) N-Ethylchloride can form Aziridinium species as covalent binder which is known in Phenoxybenzamine drug. 5) Boronic acid functionality can interact with Nucleophiles and act covalent binder which is known in Bortezomib drug