Tacrine(8)-4-aminoquinoline
General
Type : Derivative of Tacrine,Quinoline,Alkyl linked bis-ligand
Chemical_Nomenclature : N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
Canonical SMILES : C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCCNC4=CC=NC5=CC=CC=C54
InChI : InChI=1S\/C30H36N4\/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30\/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)
InChIKey : UNVOAAWEEGAXTN-UHFFFAOYSA-N
Other name(s) : CHEMBL1082738e,A8Be,AC1LCVTYe,BDBM9441e,ZINC12504439
MW : 452.63
Formula : C30H36N4
CAS_number :
PubChem : 656986
UniChem : UNVOAAWEEGAXTN-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
-4-aminoquinoline.gif)
Target
Families : Tacrine(8)-4-aminoquinoline ligand of proteins in family: ACHE
Stucture : 1ODC Acetylcholinesterase complexed with N-4'-quinolyl-N'-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane at 2.2A resolution
Protein : torca-ACHE
References (1)
| 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_2006_J.Med.Chem_49_5491 |
| Author(s) : 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 |
| Abstract : Rydberg_2006_J.Med.Chem_49_5491 |
| ESTHER : Rydberg_2006_J.Med.Chem_49_5491 |
| PubMedSearch : Rydberg_2006_J.Med.Chem_49_5491 |
| PubMedID: 16942022 |
| Gene_locus related to this paper: torca-ACHE |