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Inhibitor Report for: 6FSE-15

combines a mosquito versus human AChE selectivity with a high potency also for the resistance-conferring mutation G122S (G119S)


General
Type Piperidine
Chemical_Nomenclature
Canonical SMILES CCN1CCN(CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)OC
InChI InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3
InChIKey HQHBRBVCWLKIRI-UHFFFAOYSA-N
Other name(s) 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride ; E5K
________________________________________________________________________________________________
MW|437.57
Formula|C26H35N3O3
CAS_number|
PubChem|137349228
UniChem|HQHBRBVCWLKIRI-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 6FSE-15 ligand of proteins in family: ACHE
Stucture | 1 structure: 6FSE: Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15)
Protein | anoga-ACHE1

References:
Search PubMed for references concerning: 6FSE-15
    Title: Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency
    Knutsson S, Engdahl C, Kumari R, Forsgren N, Lindgren C, Kindahl T, Kitur S, Wachira L, Kamau L and Linusson A <1 more author(s)>
    Ref: Journal of Medicinal Chemistry, 61:10545, 2018 : PubMed