Submission Details

Molecule(s):
O=C1N(c2cncc3ccccc23)CC[C@@]12CCOc1ccc(Cl)cc12

EDJ-MED-159244ea-1

O=C1N(c2cncc3ccccc23)CC[C@@]12CCOc1ccc(Cl)cc12

3-aminopyridine-like Check Availability on Manifold View
Clc1ccc2c(c1)[C@]1(CCO2)CCN(c2cncc3ccccc23)C1

EDJ-MED-159244ea-2

Clc1ccc2c(c1)[C@]1(CCO2)CCN(c2cncc3ccccc23)C1

O=C1C[C@]2(CCOc3ccc(Cl)cc32)CN1c1cncc2ccccc12

EDJ-MED-159244ea-3

O=C1C[C@]2(CCOc3ccc(Cl)cc32)CN1c1cncc2ccccc12


Design Rationale:

Building on the potency of VLA-UCB-50c39ae8-2 (single enantiomer prepare the lactams by imide reduction and the spiropyrollidine which should maintain the required shape but with lower desolvation, albeit loosing the hydrogen bond to Glu 166.

Discussion: