CHEMBL1622595
~200-fold lower IC50 value for schistosome rSmTAChE (0.76 microM) compared with human AChE (151 microM)
General
Type : Piperidine
Chemical_Nomenclature : 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]-1-piperidin-1-ylethanone
Canonical SMILES : COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2F)OCC(=O)N3CCCCC3
InChI : InChI=1S\/C23H29FN2O3\/c1-28-22-15-18(16-25-12-11-19-7-3-4-8-20(19)24)9-10-21(22)29-17-23(27)26-13-5-2-6-14-26\/h3-4,7-10,15,25H,2,5-6,11-14,16-17H2,1H3
InChIKey : WJARNXKZWMYCDQ-UHFFFAOYSA-N
Other name(s) : Compound 2 || STK510613 || AKOS001477274
MW : 400.5
Formula : C23H29FN2O3
CAS_number :
PubChem : 2988459
UniChem : WJARNXKZWMYCDQ-UHFFFAOYSA-N
Target
Families : CHEMBL1622595 ligand of proteins in family
ACHE
Protein :
schma-ACHE2
References (1)
| Title : Expression, Characterization and Selective Chemical Inhibition of Essential Schistosoma mansoni Tegumental Acetylcholinesterase (SmTAChE) - Skelly_2025_Int.J.Mol.Sci_26_1975 |
| Author(s) : Skelly PJ , Da'dara AA |
| Ref : Int J Mol Sci , 26 : , 2025 |
| Abstract : |
| PubMedSearch : Skelly_2025_Int.J.Mol.Sci_26_1975 |
| PubMedID: 40076600 |
| Gene_locus related to this paper: schma-ACHE2 |