Submission Details

VLA-UNK-5b0345c3
Molecule(s):
COc1cccc2[nH]c(C(=O)N3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc12

VLA-UNK-5b0345c3-1

COc1cccc2[nH]c(C(=O)N3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@H]1CN(C(=O)OCc2ccccc2)Cc2ccc(Cl)cc21

VLA-UNK-5b0345c3-2

O=C(Nc1cncc2ccccc12)[C@@H]1CN(C(=O)OCc2ccccc2)Cc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)OCc2ccccc2)Cc2ccc(Cl)cc21

VLA-UNK-5b0345c3-3

O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)OCc2ccccc2)Cc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
COc1cccc2[nH]c(S(=O)(=O)N3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc12

VLA-UNK-5b0345c3-4

COc1cccc2[nH]c(S(=O)(=O)N3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc12

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

P4 extensions based on potent antivirals GC373 and PF-00835231. Manifold suggests that amides are accessible in two step synthesis, whereas the sulfonamides may be a bit more involved.

Other Notes:

https://cen.acs.org/pharmaceuticals/drug-discovery/Pfizers-novel-COVID-19-antiviral/98/web/2020/09 & https://www.nature.com/articles/s41467-020-18096-2

Inspired By:
Discussion:

Contributor: Vladas Oleinikovas - Wed, 24 Mar 2021 10:58:34 +0000