Benzyl-methyl-benzoxazolinon-propionyl-thiosemicarbazide-Cpd4bk'
IC50 AChE 0.029 +/- 0.001 microM; BChE 0.071 +/- 0.003 micrM; MAO-A >10 microM; MaO-B 0.048 +/- 0.002 microM
General
Type : Sulfur Compound, Urea derivative, Carbothioamide, Benzoxazol, Multitarget, Antioxidant, Monoamine-oxidase-inhibitor
Chemical_Nomenclature : N-Benzyl-1-[3-(5-methyl-2-benzoxazolinon-3-yl)propionyl]thiosemicarbazide
Canonical SMILES : C13=C(OC(N1CCC(NNC(NCC2=CC=CC=C2)=S)=O)=O)C=CC(=C3)C
InChI : InChI=1S\/C19H20N4O3S\/c1-13-7-8-16-15(11-13)23(19(25)26-16)10-9-17(24)21-22-18(27)20-12-14-5-3-2-4-6-14\/h2-8,11H,9-10,12H2,1H3,(H,21,24)(H2,20,22,27)
InChIKey : ZBOVCARYNXCTCP-UHFFFAOYSA-N
Other name(s) : Compound 4bk
Target
Families : Benzyl-methyl-benzoxazolinon-propionyl-thiosemicarbazide-Cpd4bk' ligand of proteins in family
BCHE
ACHE
Protein :
human-BCHE
human-ACHE
References (1)
| Title : Benzoxazolinone-Based Propionyl Thiosemicarbazides as Multi-Target-Directed Ligands for Alzheimer's Disease: Cholinesterase and MAO Inhibition, Docking, and Molecular Dynamics - Tasci_2026_ACS.Omega_11_43129 |
| Author(s) : Tasci H , Avci A , Ozenver N , Saglik Ozkan BN , Tozkoparan B , Kelekci NG |
| Ref : ACS Omega , 11 :43129 , 2026 |
| Abstract : |
| PubMedSearch : Tasci_2026_ACS.Omega_11_43129 |
| PubMedID: 42540265 |