Submission Details

Molecule(s):
C#Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NCCc2cccc(F)c2)c2cccnc2)c1

PAU-WEI-ca14c437-1

C#Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NCCc2cccc(F)c2)c2cccnc2)c1


Design Rationale:

More potent Ugi enantiomer: MAT-POS-f2460aef-1. To reach the Aryl-chloride in MAT-POS-b3e365b9-1, changed Ugi aniline, adding a meta acetylene group. Based on Ugi structural data from LON-WEI-adc59df6-26. The acetylene group has been classified as a halide isostere (J. Med. Chem. 2020, 63, 11, 5625).

Other Notes:

Reduces cLogP by one unit.

Inspired By:
Discussion: