IC50 38 nM
Type : Derivative of Tacrine, Acridine, cyanide, Carboxamide
Chemical_Nomenclature : 9-amino-6-(4-cyanophenyl)-N-(prop-2-yn-1-yl)-1,2,3,4-tetrahydroacridine-2-carboxamide
Canonical SMILES : C1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=C4C(=N3)CCC(C4)C(=O)NCC#C)N)C#N
InChI : InChI=1S\/C24H20N4O\/c1-2-11-27-24(29)18-8-10-21-20(12-18)23(26)19-9-7-17(13-22(19)28-21)16-5-3-15(14-25)4-6-16\/h1,3-7,9,13,18H,8,10-12H2,(H2,26,28)(H,27,29)
InChIKey : PGOZDEDKOHRMLK-UHFFFAOYSA-N
Other name(s) :
Families : SPFTD-6 ligand of proteins in family
ACHE
Protein :
human-ACHE
| Title : Sub-pocket-focused designing of tacrine derivatives as potential acetylcholinesterase inhibitors - Babu_2023_Comput.Biol.Med_155_106666 |
| Author(s) : Babu A , John M , Liji MJ , Maria E , Bhaskar SJ , Binukmar BK , Sajith AM , Reddy EK , Dileep KV , Sunil K |
| Ref : Computers in Biology & Medicine , 155 :106666 , 2023 |
| Abstract : |
| PubMedSearch : Babu_2023_Comput.Biol.Med_155_106666 |
| PubMedID: 36841058 |