Submission Details

Molecule(s):
COC1(C(=O)Nc2cncc3ccccc23)C(=O)NC(=O)c2ccc(Cl)cc21

MIC-UNK-e8d6fb58-1

COC1(C(=O)Nc2cncc3ccccc23)C(=O)NC(=O)c2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CNC(=O)CN1C(=O)c2ccc(Cl)cc2C(OC)(C(=O)Nc2cncc3ccccc23)C1=O

MIC-UNK-e8d6fb58-2

CNC(=O)CN1C(=O)c2ccc(Cl)cc2C(OC)(C(=O)Nc2cncc3ccccc23)C1=O

CS(=O)(=O)c1cccc(COc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)c1

MIC-UNK-e8d6fb58-3

CS(=O)(=O)c1cccc(COc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)c1

3-aminopyridine-like Check Availability on Manifold View
CS(=O)(=O)c1cccc(CN(c2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)S(C)(=O)=O)c1

MIC-UNK-e8d6fb58-4

CS(=O)(=O)c1cccc(CN(c2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)S(C)(=O)=O)c1


Design Rationale:

Another way of avoiding aromatization issues - reduction would be required in order for aromatic ring to form, although I feel that another, more modifiable platform like sulfamides (like MAT-POS-4223bc15-11) have more potential (unless there are severe PK problems with these). Also another way of making sulfone derivative targeting P4 pocket (alkylation of sulfonamides is almost as easy as alkylation of phenols)

Inspired By:
Discussion: