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Inhibitor Report for: ZINC11709541

IC50 values for ZINC11709541 58.58 +/- 7.51 nM


General
Type Trifluoro, Derivative of Donepezil
Chemical_Nomenclature
Canonical SMILES CCOc1cc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O
InChI InChI=1S/C22H24F3NO3/c1-2-29-20-11-15(8-9-19(20)27)13-26-10-4-6-17(14-26)21(28)16-5-3-7-18(12-16)22(23,24)25/h3,5,7-9,11-12,17,27H,2,4,6,10,13-14H2,1H3/t17-/m1/s1
InChIKey BIAXDIHWWIGRNN-QGZVFWFLSA-N
Other name(s)
________________________________________________________________________________________________
MW|407.43
Formula|C22H24F3NO3
CAS_number|
PubChem|42117688
UniChem|BIAXDIHWWIGRNN-QGZVFWFLSA-N
IUPHAR|
Wikipedia|

Target
Families | ZINC11709541 ligand of proteins in family: ACHE
Protein | human-ACHE

References:
Search PubMed for references concerning: ZINC11709541
    Title: Chemical similarity assisted search for acetylcholinesterase inhibitors: Molecular modeling and evaluation of their neuroprotective properties
    Remya C, Dileep KV, Variyar EJ, Zhang KYJ, Omkumar RV, Sadasivan C
    Ref: Int J Biol Macromol, :, 2021 : PubMed