Methyl-oxochromen-trimethylbenzenesulfonate-Cpd3
IC50 6.476 nM AChE; 11.948 nM BChE
General
Type : Chromen, Sulfur Compound, Sulfonyl
Chemical_Nomenclature : (4-methyl-2-oxochromen-7-yl) 2,4,6-trimethylbenzenesulfonate
Canonical SMILES : CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C)C
InChI : InChI=1S\/C19H18O5S\/c1-11-7-13(3)19(14(4)8-11)25(21,22)24-15-5-6-16-12(2)9-18(20)23-17(16)10-15\/h5-10H,1-4H3
InChIKey : DNQJJXVQWQIMTR-UHFFFAOYSA-N
Other name(s) : 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 2,4,6-trimethylbenzene-1-sulfonate || ZINC06314925 || Compound 3
Target
Families : Methyl-oxochromen-trimethylbenzenesulfonate-Cpd3 ligand of proteins in family
BCHE
ACHE
Protein :
human-BCHE
human-ACHE
References (2)
| Title : Development of coumarin-sulfonate scaffolds for cholinesterase inhibition: experimental and computational studies toward Alzheimer's disease therapy - Mughal_2026_RSC.Adv_16_25819 |
| Author(s) : Mughal EU , Naeem N , Cheema AS , Othman GA , Sadiq A , Bayrak S , Kilinc N , Hawsawi MB , Gomha SM , Almaz Z |
| Ref : RSC Adv , 16 :25819 , 2026 |
| Abstract : |
| PubMedSearch : Mughal_2026_RSC.Adv_16_25819 |
| PubMedID: 42148273 |
| Title : Synthesis, Characterization, ADMET prediction, and Molecular Docking Studies of Novel Coumarin Sulfonate Derivatives - Odzak_2013_Bioorg.Med.Chem_21_7499 |
| Author(s) : Korkmaz, A |
| Ref : J. Inst. Sci. and Tech , 12 :918 , 2022 |
| Abstract : |
| PubMedSearch : Odzak_2013_Bioorg.Med.Chem_21_7499 |
| PubMedID: |