S16-1029
eqBChE IC50 = 11.35 4.84 nM, hBChE IC50 = 48.1 11.4 nM
General
Type : Benzimidazole, Oxadiazol, Morpholine, Carboxamide
Chemical_Nomenclature : 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
Canonical SMILES : C1COCCN1CCC2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=C3C5=NON=C5N
InChI : InChI=1S\/C23H25N7O3\/c24-22-21(27-33-28-22)23-26-18-3-1-2-4-19(18)30(23)15-20(31)25-17-7-5-16(6-8-17)9-10-29-11-13-32-14-12-29\/h1-8H,9-15H2,(H2,24,28)(H,25,31)
InChIKey : GPJOTHGHTFYDBV-UHFFFAOYSA-N
Other name(s) :
MW : 447.5
Formula : C23H25N7O3
CAS_number :
PubChem : 171038236
UniChem : GPJOTHGHTFYDBV-UHFFFAOYSA-N
Target
Families : S16-1029 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Optimizing drug-like properties of selective butyrylcholinesterase inhibitors for cognitive improvement: Enhancing aqueous solubility by disrupting molecular plane - Xing_2024_Eur.J.Med.Chem_268_116289 |
| Author(s) : Xing S , Tang X , Wang L , Wang J , Lv B , Wang X , Guo C , Zhao Y , Feng F , Liu W , Chen Y , Sun H |
| Ref : Eur Journal of Medicinal Chemistry , 268 :116289 , 2024 |
| PubMedID: 38452730 |