N14
eqBChE IC50 = 18.00 +/- 0.485 pM, selectivity index (SI) = 84,7252, hBChE IC50 = 1.50 +/- 0.155 nM
General
Chemical_Nomenclature : 3-(2-(2-Hydroxy-4-methylbenzamido)ethyl)-1H-indol-5-yl azetidine-1-carboxylate
Canonical SMILES : C1(=CC=C2C(=C1)C(=C[NH]2)CCNC(C3=C(C=C(C=C3)C)O)=O)OC(N4CCC4)=O
InChI : InChI=1S\/C22H23N3O4\/c1-14-3-5-17(20(26)11-14)21(27)23-8-7-15-13-24-19-6-4-16(12-18(15)19)29-22(28)25-9-2-10-25\/h3-6,11-13,24,26H,2,7-10H2,1H3,(H,23,27)
InChIKey : KXNXCLRFAJIYDC-UHFFFAOYSA-N
Other name(s) :
Target
Families : N14 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (3)
| Title : Discovery of a highly selective BChE inhibitor with concomitant anti-neuroinflammatory activity for treating Alzheimer's disease - Zhao_2025_Eur.J.Med.Chem_299_118071 |
| Author(s) : Zhao Y , Wu K , Luo W , Zeng J , Wu J , Yang C , Yang M , Liu J , Lei Z , Peng X , Wang Z |
| Ref : Eur Journal of Medicinal Chemistry , 299 :118071 , 2025 |
| Abstract : |
| PubMedSearch : Zhao_2025_Eur.J.Med.Chem_299_118071 |
| PubMedID: 40884959 |
| Title : Discovery of a highly selective BChE inhibitor with concomitant anti-neuroinflammatory activity for treating Alzheimer's disease - Zhao_2025_Eur.J.Med.Chem_299_118071 |
| Author(s) : Zhao Y , Wu K , Luo W , Zeng J , Wu J , Yang C , Yang M , Liu J , Lei Z , Peng X , Wang Z |
| Ref : Eur Journal of Medicinal Chemistry , 299 :118071 , 2025 |
| Abstract : |
| PubMedSearch : Zhao_2025_Eur.J.Med.Chem_299_118071 |
| PubMedID: 40884959 |
| Title : Discovery of a highly selective BChE inhibitor with concomitant anti-neuroinflammatory activity for treating Alzheimer's disease - Zhao_2025_Eur.J.Med.Chem_299_118071 |
| Author(s) : Zhao Y , Wu K , Luo W , Zeng J , Wu J , Yang C , Yang M , Liu J , Lei Z , Peng X , Wang Z |
| Ref : Eur Journal of Medicinal Chemistry , 299 :118071 , 2025 |
| Abstract : |
| PubMedSearch : Zhao_2025_Eur.J.Med.Chem_299_118071 |
| PubMedID: 40884959 |