TI45b
IC50 microM eleelAChE 0.071 +/- 0.014; eqBChE >50
General
Type : Trifluoro, Triazol, Thiazol, Sulfur Compound, Indazole
Chemical_Nomenclature : 2-(4-(3,5-bis(Trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)-N-(6-ethyl-6H-thiazolo[5,4-e]indazol-2-yl)acetamide
Canonical SMILES : C1=C5C(=C2C(=C1)N=C(S2)NC(=O)C[N]3C=C(N=N3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C=N[N]5CC
InChI : InChI=1S\/C22H15F6N7OS\/c1-2-35-17-4-3-15-19(14(17)8-29-35)37-20(30-15)31-18(36)10-34-9-16(32-33-34)11-5-12(21(23,24)25)7-13(6-11)22(26,27)28\/h3-9H,2,10H2,1H3,(H,30,31,36)
InChIKey : VKDVFZWCODSVCO-UHFFFAOYSA-N
Other name(s) :
Target
Families : TI45b ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Design of Promising Thiazoloindazole-Based Acetylcholinesterase Inhibitors Guided by Molecular Docking and Experimental Insights - Laghchioua_2024_ACS.Chem.Neurosci__ |
| Author(s) : Laghchioua FE , da Silva CFM , Pinto D , Cavaleiro JAS , Mendes RF , Paz FAA , Faustino MAF , Rakib EM , Neves M , Pereira F , Moura NMM |
| Ref : ACS Chem Neurosci , : , 2024 |
| Abstract : |
| PubMedSearch : Laghchioua_2024_ACS.Chem.Neurosci__ |
| PubMedID: 39037949 |