Submission Details
Molecule(s):
O=C(CCl)N1CC[C@H](C(=O)N2CCCCC2)[C@@H](CCc2ccccc2)C1
Design Rationale:
Surface analysis of x1380 in pymol shows that branching off the central piperidine ring could enable targeting of a pocket by a 2-phenylethyl substituent. Said pocket was also hit by x0072 and x0305.
Other Notes:
Important for automated synthesis planning: Electrophile needs to be installed last (disconnected first) due to stability issues. Stereobonds indicate relative stereochemistry. Own synthetic plan entails six steps from commercially available starting materials, can be discussed by email.