Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: 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
IUPHAR|
Wikipedia|

Target
Families | CB2R-BCHE-20a ligand of proteins in family: BCHE

References:
Search PubMed for references concerning: CB2R-BCHE-20a
    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 D, Hoffmann M, Gunesch S, Marinelli O, Moller J, Santoni G, Chatonnet A, Lohse MJ, Wittmann HJ and Decker M <3 more author(s)>
    Ref: Journal of Medicinal Chemistry, 61:1646, 2018 : PubMed