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8012-9656

eqBChE IC50 = 0.18 +/- 0.03 muM, hBChE IC50 = 0.32 +/- 0.07 muM

General

Type : Quinoline,Imidazole,Oxadiazol,Benzimidazole

Chemical_Nomenclature : 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-methylquinolin-6-yl)acetamide

Canonical SMILES : CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=C3C5=NON=C5N

InChI : InChI=1S\/C21H17N7O2\/c1-12-6-7-13-10-14(8-9-15(13)23-12)24-18(29)11-28-17-5-3-2-4-16(17)25-21(28)19-20(22)27-30-26-19\/h2-10H,11H2,1H3,(H2,22,27)(H,24,29)

InChIKey : LESZNGMDDFKRPH-UHFFFAOYSA-N

Other name(s) : Oprea1_260106,ZINC1071104,STK768813,AKOS001736578,MCULE-9028364371

MW : 399.41

Formula : C21H17N7O2

CAS_number :

PubChem : 1259483

UniChem : LESZNGMDDFKRPH-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : 8012-9656 ligand of proteins in family: BCHE

Stucture :

Protein : human-BCHE

References (1)

Title : Discovery and Biological Evaluation of a Novel Highly Potent Selective Butyrylcholinsterase Inhibitor - Li_2020_J.Med.Chem_63_10030
Author(s) : Li Q , Xing S , Chen Y , Liao Q , Xiong B , He S , Lu W , Liu Y , Yang H , Feng F , Liu W , Sun H
Ref : Journal of Medicinal Chemistry , 63 :10030 , 2020
Abstract : Li_2020_J.Med.Chem_63_10030
ESTHER : Li_2020_J.Med.Chem_63_10030
PubMedSearch : Li_2020_J.Med.Chem_63_10030
PubMedID: 32787113