Chloro-oxobenzothiazol-methyl-oxadiazo-benzenesulfonamide-Cpd5b
IC50 AChE 32.6 +/- 2.6 nM; Ki 7.1 +/- 0.6 nM Competitive; IC50 BChE 42.7 +/- 3.4 nM; Ki 10.8 +/- 0.9 nM; IC50 CA-I 21 +/- 2.2 nM; Ki 10.4 +/- 1.2 nM; competitive; IC50 CA-II 5.72 +/- 0.45 nM; Ki 2.76 +/- 0.24 nM. Compound 5g (Br instead of Cl) better inhibitor of BChE. Compound 6d (oxobenzo-oxazol instead of oxobenzo-thiazol and NO2 instead of Cl) better inhibitor of CA-I and II
General
Type : Benzothiazol, Multitarget, Thiazole, Sulfur Compound, Sulfonamide, Oxadiazol, Carbonic anhydrase inhibitor
Chemical_Nomenclature : 4-Chloro-N-(5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-1,3,4-oxadiazol-2-yl)benzenesulfonamide
Canonical SMILES : C1=CC=C2C(=C1)SC(N2CC3=NN=C(O3)N[S](C4=CC=C(C=C4)Cl)(=O)=O)=O
InChI : InChI=1S\/C16H11ClN4O4S2\/c17-10-5-7-11(8-6-10)27(23,24)20-15-19-18-14(25-15)9-21-12-3-1-2-4-13(12)26-16(21)22\/h1-8H,9H2,(H,19,20)
InChIKey : XMWXHNVXZDTJJC-UHFFFAOYSA-N
Other name(s) : Compound 5b
Target
Families : Chloro-oxobenzothiazol-methyl-oxadiazo-benzenesulfonamide-Cpd5b ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Sulfonamide-Based 2-Amino-1,3,4-Oxadiazole Derivatives as Dual Cholinesterase and Carbonic Anhydrase Inhibitors: Design, Synthesis, Kinetic Characterization, Molecular Modeling, and ADMET Evaluation - Arslan_2026_Drug.Dev.Res_87_e70375 |
| Author(s) : Arslan Karahan G , Gokce B , Muhammed MT , Ayan EK , Ozcelik AB |
| Ref : Drug Dev Res , 87 :e70375 , 2026 |
| Abstract : |
| PubMedSearch : Arslan_2026_Drug.Dev.Res_87_e70375 |
| PubMedID: 42638586 |