SQ1b
IC50 AChE 2.2 nM; IC50 hCA1 28.8 nM; IC50 hCA2 53.3 nM
General
Type : Sulfur Compound, Sulfonamide, Multitarget, Carbonic anhydrase activator
Chemical_Nomenclature : Ethyl 4-((4-(N-acetylsulfamoyl)phenyl)amino)-1-carbamoyl-2-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
Canonical SMILES : C1(=C(C(N(C1=O)C(=O)N)(O)C2=CC=CC=C2)C(=O)OCC)NC3=CC=C(C=C3)[S](NC(C)=O)(=O)=O
InChI : InChI=1S\/C22H22N4O8S\/c1-3-34-20(29)17-18(24-15-9-11-16(12-10-15)35(32,33)25-13(2)27)19(28)26(21(23)30)22(17,31)14-7-5-4-6-8-14\/h4-12,24,31H,3H2,1-2H3,(H2,23,30)(H,25,27)
InChIKey : HBBOUWGLEFSTOK-UHFFFAOYSA-N
Other name(s) :
Target
Families : SQ1b ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Design and Synthesis of Novel Bioactive Squamolone Derivatives Targeting Carbonic Anhydrase and Acetylcholinesterase Enzymes - Koca_2026_ACS.Omega_11_40043 |
| Author(s) : Koca I , Capan I , Mehtap Ozden E , Sert Y , Demir Y , Gulcin I |
| Ref : ACS Omega , 11 :40043 , 2026 |
| Abstract : |
| PubMedSearch : Koca_2026_ACS.Omega_11_40043 |
| PubMedID: 42518442 |