Benzimidazole-Ethoxybenzyl-isopentyl-azetidine-carboxylate-21d
IC50 hBCHE 0.15 microM; hACHE >25 microM; hCB2R 1.01 microM
General
Type : Cannabinoid-Receptor-ligand,Benzimidazole,Carbamate,Carboxamide,Azetidin
Chemical_Nomenclature : 2-(4-Ethoxybenzyl)-1-isopentyl-1H-benzo[d]imidazole-5-yl Azetidine-1-carboxylate
Canonical SMILES : C1(=CC=C2C(=C1)N=C3[N]2CCC(C3C4=CC=C(C=C4)OCC)C)OC(=O)N5CCC5
InChI : InChI=1S\/C24H27N3O3.C2H6\/c1-3-29-18-7-5-17(6-8-18)22-16(2)11-14-27-21-10-9-19(15-20(21)25-23(22)27)30-24(28)26-12-4-13-26\;1-2\/h5-10,15-16,22H,3-4,11-14H2,1-2H3\;1-2H3
InChIKey : XDHXKSYAPOAJHZ-UHFFFAOYSA-N
Other name(s) : 21d
MW : 405.49
Formula : C24H27N3O3
CAS_number :
PubChem :
UniChem : XDHXKSYAPOAJHZ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Benzimidazole-Ethoxybenzyl-isopentyl-azetidine-carboxylate-21d ligand of proteins in family: BCHE
Stucture :
Protein : human-BCHE
References (1)
| Title : Dual-Acting Small Molecules: Subtype-Selective Cannabinoid Receptor 2 Agonist\/Butyrylcholinesterase Inhibitor Hybrids Show Neuroprotection in an Alzheimer's Disease Mouse Model - Spatz_2023_J.Med.Chem__ |
| Author(s) : Spatz P , Steinmuller SAM , Tutov A , Poeta E , Morilleau A , Carles A , Deventer MH , Hofmann J , Stove CP , Monti B , Maurice T , Decker M |
| Ref : Journal of Medicinal Chemistry , : , 2023 |
| Abstract : Spatz_2023_J.Med.Chem__ |
| ESTHER : Spatz_2023_J.Med.Chem__ |
| PubMedSearch : Spatz_2023_J.Med.Chem__ |
| PubMedID: 37127287 |