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Inhibitor Report for: MTDL-cpd36-diphenylacetamide

Balanced and broad activity profile (eeAChE IC50 = 2.86 mM; eqBuChE IC50 = 60 nM; hBuChE IC50 = 20 nM; hBACE1 IC50 = 5.9 mM; inhibition of Ab aggregation = 57.9% at 10 mM; mGAT1 IC50 == 10.96 mM; and mGAT2 IC50 = 19.05 mM).


General
Type Multitarget, BACE1-inhibitor, anti-Abeta-aggregation, GABA-transporter-inhibitor, Diphenylacetamide
Chemical_Nomenclature N-((2S,3R)-4-((3-(tert-butyl)benzyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide
Canonical SMILES C(C(N[C@@H](C(CNCC1=CC=CC(=C1)C(C)(C)C)O)CC2=CC=CC=C2)=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI InChI=1S/C35H40N2O2/c1-35(2,3)30-21-13-16-27(22-30)24-36-25-32(38)31(23-26-14-7-4-8-15-26)37-34(39)33(28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-22,31-33,36,38H,23-25H2,1-3H3,(H,37,39)/t31-,32?/m1/s1
InChIKey FDZZTBAHBJUANF-XGDNGBMYSA-N
Other name(s) Compound 36
________________________________________________________________________________________________
MW|520.72
Formula|C35H40N2O2
CAS_number|
PubChem|
UniChem|FDZZTBAHBJUANF-XGDNGBMYSA-N
IUPHAR|
Wikipedia|

Target
Families | MTDL-cpd36-diphenylacetamide ligand of proteins in family: BCHE
Protein | human-BCHE

References:
Search PubMed for references concerning: MTDL-cpd36-diphenylacetamide
    Title: Discovery of multifunctional anti-Alzheimers agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters
    Pasieka A, Panek D, Jonczyk J, Godyn J, Szalaj N, Latacz G, Tabor J, Mezeiova E, Chantegreil F and Malawska B <10 more author(s)>
    Ref: Eur Journal of Medicinal Chemistry, 218:113397,  : PubMed