Submission Details
Molecule(s):
O=C1Nc2cncc3cccc(c23)/C=C/CO[C@]12CCOc1ccc(Cl)cc12
O=C1Nc2cncc3cccc(c23)OCCO[C@]12CCOc1ccc(Cl)cc12
O=C1Nc2cncc3cccc(c23)CCCO[C@]12CCOc1ccc(Cl)cc12
O=C1Nc2cnccc2C/C=C\CO[C@]12CCOc1ccc(Cl)cc12
Cc1cncc2c1/C=C\CCO[C@]1(CCOc3ccc(Cl)cc31)C(=O)N2
Design Rationale:
Some kind of macrocyclisation. Can we lock the active leads into a macrocycle? Reduced degrees of freedom, lower efflux etc... Sometimes allows better BBB penetration also.
Other Notes:
Sorry, these look ugly!!!! Just some exemplars and a general locking concept for some of the leads but not modelled. Should be readily made by RCM (metathesis) chemistry from e.g. a styrene and an allyl ether.