Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: MTDL-cpd51-diphenylacetamide

General
Type Multitarget, BACE1-inhibitor, anti-Abeta-aggregation, GABA-transporter-inhibitor, Diphenylacetamide
Chemical_Nomenclature N-((2S,3R)-3-hydroxy-4-(neopentylamino)-1-phenylbutan-2-yl)-2,2-diphenylacetamide
Canonical SMILES C(C(N[C@@H](C(CNCC(C)(C)C)O)CC1=CC=CC=C1)=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/t25-,26?/m1/s1 InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/p+1/t25-,26+/m0/s1
InChIKey SGKQSSMGZUXLMP-DCWQJPKNSA-N SGKQSSMGZUXLMP-IZZNHLLZSA-O
Other name(s) Compound 51 ; RNZ
________________________________________________________________________________________________
MW|444.62
Formula|C29H36N2O2
CAS_number|
PubChem|155923722
UniChem|SGKQSSMGZUXLMP-DCWQJPKNSA-N, SGKQSSMGZUXLMP-IZZNHLLZSA-O
IUPHAR|
Wikipedia|

Target
Families | MTDL-cpd51-diphenylacetamide ligand of proteins in family: BCHE
Stucture | 1 structure: 7AMZ: Human butyrylcholinesterase in complexe with N-((2S,3R)-3-hydr oxy-4-(neopentylamino)-1-phenylbutan-2-yl)-2,2-diphenylacetamide (51)
Protein | human-BCHE

References:
Search PubMed for references concerning: MTDL-cpd51-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