CHEMBL3290209
IC50 eleelAChE 5.53 +/- 0.96 microM IC50 eqBChE 0.40 +/- 0.03 microM
General
Type : Pyrrolidine, Benzimidazole
Chemical_Nomenclature : ethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylbenzimidazole-5-carboxylate
Canonical SMILES : CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=C3)CCCN4CCCC4=O
InChI : InChI=1S\/C23H25N3O3\/c1-2-29-23(28)18-11-12-20-19(16-18)24-22(17-8-4-3-5-9-17)26(20)15-7-14-25-13-6-10-21(25)27\/h3-5,8-9,11-12,16H,2,6-7,10,13-15H2,1H3
InChIKey : WJYNZMYLZGFWGH-UHFFFAOYSA-N
Other name(s) : Compound 5IIa || A1JPK
MW : 391.5
Formula : C23H25N3O3
CAS_number :
PubChem : 90682067
UniChem : WJYNZMYLZGFWGH-UHFFFAOYSA-N
Target
References (2)
| Title : Structure-Guided Design and Synthesis of Selective Butyrylcholinesterase Inhibitors - Law_2026_J.Mol.Struct__145611 |
| Author(s) : Law CSW , Ha ZY , Brazzolotto X , Yeong KY |
| Ref : J Mol Struct , :145611 , 2026 |
| Abstract : |
| PubMedSearch : Law_2026_J.Mol.Struct__145611 |
| PubMedID: |
| Title : Ethyl 1-[3-(2-oxopyrrolidin-1-yl)prop-yl]-2-phenyl-1H-benzimidazole-5-carboxyl-ate - Yoon_2012_Acta.Crystallogr.Sect.E.Struct.Rep.Online_68_o251 |
| Author(s) : Yoon YK , Ali MA , Choon TS , Asik SI , Razak IA |
| Ref : Acta Crystallographica Sect E Struct Rep Online , 68 :o251 , 2012 |
| Abstract : |
| PubMedSearch : Yoon_2012_Acta.Crystallogr.Sect.E.Struct.Rep.Online_68_o251 |
| PubMedID: 22346899 |