CB2R-BCHE-20a
Balanced dual acting butyrylcholinesterase inhibitor and human cannabinoid receptor 2 ligand
General
Type : Multitarget, Cannabinoid-Receptor-ligand, Piperidine, Imidazole, Carboxamide
Chemical_Nomenclature : 2-(4-Ethoxybenzyl)-N,1-diisopentyl-1H-benzo[d]imidazole-5-carboxamide
Canonical SMILES : CCOC1=CC=C(C=C1)CC2=NC3=C([N]2CCC(C)C)C=CC(=C3)C(=O)NCCC(C)C
InChI : InChI=1S\/C27H37N3O2\/c1-6-32-23-10-7-21(8-11-23)17-26-29-24-18-22(27(31)28-15-13-19(2)3)9-12-25(24)30(26)16-14-20(4)5\/h7-12,18-20H,6,13-17H2,1-5H3,(H,28,31)
InChIKey : XHAKZGSSIHVURR-UHFFFAOYSA-N
Other name(s) : CHEMBL4061358
MW : 436.35
Formula : C27H37N3O2
CAS_number :
PubChem : 137635913
UniChem : XHAKZGSSIHVURR-UHFFFAOYSA-N
Target
Families : CB2R-BCHE-20a ligand of proteins in family
BCHE
References (1)
| Title : Structure-Activity Relationships and Computational Investigations into the Development of Potent and Balanced Dual-Acting Butyrylcholinesterase Inhibitors and Human Cannabinoid Receptor 2 Ligands with Pro-Cognitive in Vivo Profiles - Dolles_2018_J.Med.Chem_61_1646 |
| Author(s) : Dolles D , Hoffmann M , Gunesch S , Marinelli O , Moller J , Santoni G , Chatonnet A , Lohse MJ , Wittmann HJ , Strasser A , Nabissi M , Maurice T , Decker M |
| Ref : Journal of Medicinal Chemistry , 61 :1646 , 2018 |
| Abstract : |
| PubMedSearch : Dolles_2018_J.Med.Chem_61_1646 |
| PubMedID: 29400965 |