6FSE-15
combines a mosquito versus human AChE selectivity with a high potency also for the resistance-conferring mutation G122S (G119S). IC50 AgAChE1 0.4 microM Mouse AChE 29 microM
General
Type : Piperidine, Piperazine
Chemical_Nomenclature : 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
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 || AL284 || CHEMBL4284619 || BDBM50467882
MW : 437.57
Formula : C26H35N3O3
CAS_number :
PubChem : 137349228
UniChem : HQHBRBVCWLKIRI-UHFFFAOYSA-N
Target
Families : 6FSE-15 ligand of proteins in family
ACHE
Structure :
6FSE
Protein :
anoga-ACHE1
mouse-ACHE
References (2)
| Title : Enzyme Dynamics Determine the Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes - Kumari_2024_ACS.Infect.Dis__ |
| Author(s) : Kumari R , Lindgren C , Kumar R , Forsgren N , Andersson CD , Ekstrom F , Linusson A |
| Ref : ACS Infect Dis , : , 2024 |
| Abstract : |
| PubMedSearch : Kumari_2024_ACS.Infect.Dis__ |
| PubMedID: 39291389 |
| Gene_locus related to this paper: anoga-ACHE1 , mouse-ACHE |
| 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 : |
| PubMedSearch : Knutsson_2018_J.Med.Chem_61_10545 |
| PubMedID: 30339371 |
| Gene_locus related to this paper: mouse-ACHE |