Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: Sigma1R-ACHE-6b

General
Type Multitarget, 5-HT-receptor-ligand, Piperidine, Sigma1R, Derivative of Donepezil
Chemical_Nomenclature 3-(1-Benzyl-4-piperidyl)-1-(7-chloro-4-methoxy-1H-indol-5-yl)propan-1-one
Canonical SMILES COC1=C2C=CNC2=C(C=C1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl
InChI InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3
InChIKey DUUYHLUSDHATNS-UHFFFAOYSA-N
Other name(s) MR33112 ; C6K
________________________________________________________________________________________________
MW|411.18
Formula|C24H28ClN2O2
CAS_number|
PubChem|134828071
UniChem|DUUYHLUSDHATNS-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Sigma1R-ACHE-6b ligand of proteins in family: ACHE
Stucture | 1 structure: 6EZG: Torpedo californica acetylcholinesterase in complex with MR33112
Protein | torca-ACHE

References:
Search PubMed for references concerning: Sigma1R-ACHE-6b
    Title: Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1 receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase
    Lalut J, Santoni G, Karila D, Lecoutey C, Davis A, Nachon F, Silman I, Sussman JL, Weik M and Rochais C <2 more author(s)>
    Ref: Eur Journal of Medicinal Chemistry, 162:234, 2019 : PubMed