Rivastigmine-Donepezil-COR783
IC50 values in the low micromolar to submicromolar range against both human cholinesterase isoforms while antagonizing CB2R with Ki of 31 nM
General
Type : Cannabinoid-Receptor-ligand, Derivative of Rivastigmine, Multitarget, Sulfur Compound, Derivative of Donepezil, Carbamate, Adamantyl
Chemical_Nomenclature : methyl 2-(adamantane-1-carbonylamino)-6-[[3-(dimethylcarbamoyloxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Canonical SMILES : C(C13CC2CC(C1)CC(C2)C3)(=O)NC6=C(C4=C(CN(CC4)CC5=CC=CC(=C5)OC(=O)N(C)C)S6)C(=O)OC || CN(C)C(=O)OC1=CC=CC(=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)NC(=O)C45CC6CC(C4)CC(C6)C5
InChI : InChI=1S\/C30H37N3O5S\/c1-32(2)29(36)38-22-6-4-5-18(12-22)16-33-8-7-23-24(17-33)39-26(25(23)27(34)37-3)31-28(35)30-13-19-9-20(14-30)11-21(10-19)15-30\/h4-6,12,19-21H,7-11,13-17H2,1-3H3,(H,31,35)
InChIKey : UOYQDSWAXQIUQP-UHFFFAOYSA-N
Other name(s) : AChE\/BChE-IN-18 || HY-161311 || CS-1009740
MW : 551.69
Formula : C30H37N3O5S
CAS_number :
PubChem : 171038012
UniChem : UOYQDSWAXQIUQP-UHFFFAOYSA-N
Target
Families : Rivastigmine-Donepezil-COR783 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Novel Dual-Acting Hybrids Targeting Type-2 Cannabinoid Receptors and Cholinesterase Activity Show Neuroprotective Effects In Vitro and Amelioration of Cognitive Impairment In Vivo - Mugnaini_2024_ACS.Chem.Neurosci__ |
| Author(s) : Mugnaini C , Brizzi A , Paolino M , Scarselli E , Castelli R , de Candia M , Gambacorta N , Nicolotti O , Kostrzewa M , Kumar P , Mahmoud AM , Borgonetti V , Iannotta M , Morace A , Galeotti N , Maione S , Altomare CD , Ligresti A , Corelli F |
| Ref : ACS Chem Neurosci , : , 2024 |
| Abstract : |
| PubMedSearch : Mugnaini_2024_ACS.Chem.Neurosci__ |
| PubMedID: 38372253 |