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
Target
Families : 8012-9656 ligand of proteins in family
BCHE
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 : |
| PubMedSearch : Li_2020_J.Med.Chem_63_10030 |
| PubMedID: 32787113 |