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Inhibitor Report for: Difluorophenyl-pyridin-piperazin-1,3,4-oxadiazole-49

mixed type of inhibition (Ki = 0.030 microM) (hAChE, IC50 = 0.054 microM), butyrylcholinesterase (hBChE, IC50 = 0.787 microM) and beta-secretase-1 (hBACE-1, IC50 = 0.098 microM).


General
Type Oxadiazol, Pyridine, Piperazine
Chemical_Nomenclature 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
Canonical SMILES C1CN(CCN1C2=CC=CC=N2)C3=NN=C(O3)C4=C(C=C(C=C4)F)F
InChI InChI=1S/C17H15F2N5O/c18-12-4-5-13(14(19)11-12)16-21-22-17(25-16)24-9-7-23(8-10-24)15-3-1-2-6-20-15/h1-6,11H,7-10H2
InChIKey JDYATWHUSHCNRV-UHFFFAOYSA-N
Other name(s) Compound 49
________________________________________________________________________________________________
MW|343.12
Formula|C17H15F2N5O
CAS_number|
PubChem|162657748
UniChem|JDYATWHUSHCNRV-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Difluorophenyl-pyridin-piperazin-1,3,4-oxadiazole-49 ligand of proteins in family: ACHE, BCHE
Protein | human-ACHE, human-BCHE

References:
Search PubMed for references concerning: Difluorophenyl-pyridin-piperazin-1,3,4-oxadiazole-49
    Title: Design and development of molecular hybrids of 2-pyridylpiperazine and 5-phenyl-1,3,4-oxadiazoles as potential multifunctional agents to treat Alzheimer's disease
    Tripathi A, Choubey PK, Sharma P, Seth A, Tripathi PN, Tripathi MK, Prajapati SK, Krishnamurthy S, Shrivastava SK
    Ref: Eur Journal of Medicinal Chemistry, 183:111707, 2019 : PubMed