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ZINC11996936

IC50 value for ZINC11996936 49.33 +/- 4.90 nM

General

Type : Trifluoro,Derivative of Donepezil

Chemical_Nomenclature : [3-(trifluoromethyl)phenyl]-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone

Canonical SMILES : COc1ccc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC

InChI : InChI=1S\/C23H26F3NO4\/c1-29-19-10-9-17(21(30-2)22(19)31-3)14-27-11-5-7-16(13-27)20(28)15-6-4-8-18(12-15)23(24,25)26\/h4,6,8-10,12,16H,5,7,11,13-14H2,1-3H3\/t16-\/m1\/s1

InChIKey : FLRIYLNSNFNHLW-MRXNPFEDSA-N

Other name(s) :

MW : 437.45

Formula : C23H26F3NO4

CAS_number :

PubChem : 42341773

UniChem : FLRIYLNSNFNHLW-MRXNPFEDSA-N

IUPHAR :

Wikipedia :

Target

Families : ZINC11996936 ligand of proteins in family: ACHE

Stucture :

Protein : human-ACHE

References (1)

Title : Chemical similarity assisted search for acetylcholinesterase inhibitors: Molecular modeling and evaluation of their neuroprotective properties - Remya_2021_Int.J.Biol.Macromol__
Author(s) : Remya C , Dileep KV , Variyar EJ , Zhang KYJ , Omkumar RV , Sadasivan C
Ref : Int J Biol Macromol , : , 2021
Abstract : Remya_2021_Int.J.Biol.Macromol__
ESTHER : Remya_2021_Int.J.Biol.Macromol__
PubMedSearch : Remya_2021_Int.J.Biol.Macromol__
PubMedID: 33497692