STK133938
Non covalent inhibitor specific for mosquitoe ACHE1 over mammalian ACHE (100 fold) and also inhibitor of the resistant form G119S mutant
General
Type : Piperidine,Piperazine
Chemical_Nomenclature : 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(4-phenylphenoxy)ethanone
Canonical SMILES : CCN1CCN(CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4
InChI : InChI=1S\/C25H33N3O2\/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21\/h3-11,23H,2,12-20H2,1H3
InChIKey : BODMOCLWYAYDCG-UHFFFAOYSA-N
Other name(s) : AL200,AC1MEZ10,ZINC19885504,AKOS005403960,MCULE-5285334816,CHEMBL3965046,1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(4-phenylphenoxy)ethanone
MW : 407.54
Formula : C25H33N3O2
CAS_number :
PubChem : 2911244
UniChem : BODMOCLWYAYDCG-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : STK133938 ligand of proteins in family: ACHE
Stucture : 5FUM Mus musculus acetylcholinesterase in complex with AL200
Protein : anoga-ACHE1
References (1)
| Title : Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes - Engdahl_2016_J.Med.Chem_59_9409 |
| Author(s) : Engdahl C , Knutsson S , Ekstrom F , Linusson A |
| Ref : Journal of Medicinal Chemistry , 59 :9409 , 2016 |
| Abstract : Engdahl_2016_J.Med.Chem_59_9409 |
| ESTHER : Engdahl_2016_J.Med.Chem_59_9409 |
| PubMedSearch : Engdahl_2016_J.Med.Chem_59_9409 |
| PubMedID: 27598521 |
| Gene_locus related to this paper: anoga-ACHE1 , mouse-ACHE |