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Inhibitor Report for: XB8-8CGO

Derivative of Amaryllidaceae alkaloid carltonine: hBChE IC50 = 3.8 +/- 0.2 nM


General
Type Alkaloid, Natural_modified
Chemical_Nomenclature N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine
Canonical SMILES C1(=C(C(=CC=C1)OC)OCC2=CC=CC=C2)CN(CCCC3=C(C=CC=C3)F)C4CCC4
InChI InChI=1S/C28H32FNO2/c1-31-27-18-7-13-24(28(27)32-21-22-10-3-2-4-11-22)20-30(25-15-8-16-25)19-9-14-23-12-5-6-17-26(23)29/h2-7,10-13,17-18,25H,8-9,14-16,19-21H2,1H3
InChIKey KZOIYQAEEQKJSB-UHFFFAOYSA-N
Other name(s) XB8 ; Compound87 ; ~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine
________________________________________________________________________________________________
MW|433.56
Formula|C28H32FNO2
CAS_number|
PubChem|
UniChem|KZOIYQAEEQKJSB-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | XB8-8CGO ligand of proteins in family: BCHE
Stucture | 1 structure: 8CGO: Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine

References:
Search PubMed for references concerning: XB8-8CGO
    Title: Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation
    Pidany F, Kroustkova J, Al Mamun A, Suchankova D, Brazzolotto X, Nachon F, Chantegreil F, Dolezal R, Pulkrabkova L and Cahlikova L <10 more author(s)>
    Ref: Eur Journal of Medicinal Chemistry, 252:115301, 2023 : PubMed