Submission Details

MIC-UNK-d58dbb53
Molecule(s):
O=C(Nc1cncc2ccccc12)[C@@]1(OCC2CCCS2(=O)=O)CCOc2ccc(Cl)cc21

MIC-UNK-d58dbb53-1

O=C(Nc1cncc2ccccc12)[C@@]1(OCC2CCCS2(=O)=O)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@]1(OC2CCS(=O)(=O)C2)CCOc2ccc(Cl)cc21

MIC-UNK-d58dbb53-2

O=C(Nc1cncc2ccccc12)[C@@]1(OC2CCS(=O)(=O)C2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@]1(OCC2CCS(=O)(=O)C2)CCOc2ccc(Cl)cc21

MIC-UNK-d58dbb53-3

O=C(Nc1cncc2ccccc12)[C@@]1(OCC2CCS(=O)(=O)C2)CCOc2ccc(Cl)cc21

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

Stiffer variants of PET-UNK-4880b143-1 hopefully reaching lipophilic region of P1' pocket. Sulfolane is cheap, so building blocks needed there could be easily available.

Inspired By:
Discussion:

Contributor: Michal K - Sun, 21 Mar 2021 15:00:00 +0000