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
Target
Families : ZINC11996936 ligand of proteins in family
ACHE
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 : |
| PubMedSearch : Remya_2021_Int.J.Biol.Macromol__ |
| PubMedID: 33497692 |