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 : 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 (1)
| Title : Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency - Knutsson_2018_J.Med.Chem_61_10545 |
| Author(s) : Knutsson S , Engdahl C , Kumari R , Forsgren N , Lindgren C , Kindahl T , Kitur S , Wachira L , Kamau L , Ekstrom F , Linusson A |
| Ref : Journal of Medicinal Chemistry , 61 :10545 , 2018 |
| Abstract : Knutsson_2018_J.Med.Chem_61_10545 |
| ESTHER : Knutsson_2018_J.Med.Chem_61_10545 |
| PubMedSearch : Knutsson_2018_J.Med.Chem_61_10545 |
| PubMedID: 30339371 |
| Gene_locus related to this paper: mouse-ACHE |