Benzimidazole-Diethylcarbamoyl-isopentyl-dimethylcarbamate-15d
IC50 hBCHE 0.62 microM; hACHE 8.66 microM; hCB2R 0.78 microM
General
Type : Cannabinoid-Receptor-ligand,Benzimidazole,Carbamate,Carboxamide
Chemical_Nomenclature : 4-((5-(Diethylcarbamoyl)-1-isopentyl-1H-benzo[d]imidazole-2-yl)methyl)phenyl dimethylcarbamate
Canonical SMILES : C1(=CC=C2C(=C1)N=C3[N]2CCC(C3C4=CC=C(C=C4)OC(N(C)C)=O)C)C(N(CC)CC)=O
InChI : InChI=1S\/C26H32N4O3\/c1-6-29(7-2)25(31)19-10-13-22-21(16-19)27-24-23(17(3)14-15-30(22)24)18-8-11-20(12-9-18)33-26(32)28(4)5\/h8-13,16-17,23H,6-7,14-15H2,1-5H3
InChIKey : MVAWNZWRKUCFCO-UHFFFAOYSA-N
Other name(s) :
MW : 448.56
Formula : C26H32N4O3
CAS_number :
PubChem :
UniChem : MVAWNZWRKUCFCO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Benzimidazole-Diethylcarbamoyl-isopentyl-dimethylcarbamate-15d 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 |