4-methylbenzyl-bithiophene-carboxylate
IC50 MAO-B 0.19 +/- 0.03 microM; IC50 AChE 0.72 +/- 0.01 microM
General
Type : Monoamine-oxidase-inhibitor, Multitarget, Sulfur Compound, Thiophen, Carboxylate
Chemical_Nomenclature : 4-methylbenzyl [2,3'-bithiophene]-5-carboxylate
Canonical SMILES : C1(=CC=C(S1)C2=CSC=C2)C(OCC3=CC=C(C=C3)C)=O
InChI : InChI=1S\/C17H14O2S2\/c1-12-2-4-13(5-3-12)10-19-17(18)16-7-6-15(21-16)14-8-9-20-11-14\/h2-9,11H,10H2,1H3
InChIKey : OLLXYPLYCDVOFV-UHFFFAOYSA-N
Other name(s) : Compound 5d
Target
Families : 4-methylbenzyl-bithiophene-carboxylate ligand of proteins in family
ACHE
References (1)
| Title : 4-methylbenzyl 5-arylthiophene-2-carboxylates as Multitarget Directed Ligands Scaffolds (MTDLs): Synthesis, in-silico docking studies, and evaluation of dual selective enzymatic inhibition (AChE & MAO-B) - Kanwal_2026_Med.Chem.Res_35_425 |
| Author(s) : Kanwal A , Rasool N |
| Ref : Med Chem Res , 35 :425 , 2026 |
| Abstract : |
| PubMedSearch : Kanwal_2026_Med.Chem.Res_35_425 |
| PubMedID: 42446696 |