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Inhibitor Report for: Bis5-tacrine

rat brain AChE IC50 (nM) 28+/-5; rat serum BuChE IC50(nM) 329+/-21


General
Type Derivative of Tacrine, Acridine, Alkyl linked bis-ligand
Chemical_Nomenclature N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine
Canonical SMILES C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64
InChI InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
InChIKey NECDJQNRWSICKG-UHFFFAOYSA-N
Other name(s) CHEMBL179732 ; Bis-THA inhibitor 4 ; 2cmf ; Tacrine Dimer 3a ; BDBM8962 ; SCHEMBL15168191
________________________________________________________________________________________________
MW|464.64
Formula|C31H36N4
CAS_number|
PubChem|9549197
UniChem|NECDJQNRWSICKG-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Bis5-tacrine ligand of proteins in family: ACHE
Stucture | 1 structure: 2CMF: Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker)
Protein | torca-ACHE

References:
Search PubMed for references concerning: Bis5-tacrine
    Title: Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge
    Rydberg EH, Brumshtein B, Greenblatt HM, Wong DM, Shaya D, Williams LD, Carlier PR, Pang YP, Silman I, Sussman JL
    Ref: Journal of Medicinal Chemistry, 49:5491, 2006 : PubMed