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
Target
Families : ZINC11709541 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 |