Submission Details
Molecule(s):
CC(C)(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NCCc2cccc(F)c2)c2cncc3ccccc23)cc1
Cc1ccncc1[C@@H](C(=O)NCCc1cccc(F)c1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1
Design Rationale:
MAT-POS-f2460aef-1 most likely identified the potent Ugi enantiomer (non-covalent). Overlap of x3113 (typical Ugi structure) and x11498 shows possibility to extend aldehyde section of the Ugi product towards an isoquinoninyl system. Also added a simple methyl variant to test for a simple conformational lock effect.
Other Notes:
Further increases cLogP