Submission Details

MIC-UNK-7f86385f
Molecule(s):
COC1(C(=O)Nc2cncc3cc(S(=O)(=O)NO)ccc23)CCOc2ccc(Cl)cc21

MIC-UNK-7f86385f-1

COC1(C(=O)Nc2cncc3cc(S(=O)(=O)NO)ccc23)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
COC1(C(=O)Nc2cncc3cc(S(=O)(=O)NC(N)=O)ccc23)CCOc2ccc(Cl)cc21

MIC-UNK-7f86385f-2

COC1(C(=O)Nc2cncc3cc(S(=O)(=O)NC(N)=O)ccc23)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
COC1(C(=O)Nc2cncc3cc(S(=O)(=O)N(C)C(N)=O)ccc23)CCOc2ccc(Cl)cc21

MIC-UNK-7f86385f-3

COC1(C(=O)Nc2cncc3cc(S(=O)(=O)N(C)C(N)=O)ccc23)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CNC(=O)NS(=O)(=O)c1ccc2c(NC(=O)C3(OC)CCOc4ccc(Cl)cc43)cncc2c1

MIC-UNK-7f86385f-4

CNC(=O)NS(=O)(=O)c1ccc2c(NC(=O)C3(OC)CCOc4ccc(Cl)cc43)cncc2c1

3-aminopyridine-like Check Availability on Manifold View
CNC(=O)N(C)S(=O)(=O)c1ccc2c(NC(=O)C3(OC)CCOc4ccc(Cl)cc43)cncc2c1

MIC-UNK-7f86385f-5

CNC(=O)N(C)S(=O)(=O)c1ccc2c(NC(=O)C3(OC)CCOc4ccc(Cl)cc43)cncc2c1

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

EDJ-MED-6bf93aa8-1 binds in an interesting way, maybe replacing methyl with another hydrogen bond donor will allow to form another hydrogen bond to Ser1 or Glu166. Sulfonylurea might turn out to be too acidic, in which case N-methyl compound may be useful. Another methyl allows for synthesis from methyl isocyanate

Inspired By:
Discussion:

Contributor: Michal K - Sat, 21 Aug 2021 10:07:47 +0000