8U2-7AIX7AY-compound5i
Coquelle, N.,Colletier, J.P.
General
Type : Derivative of Huperzine,Quinoline,Alkyl linked bis-ligand,Multitarget,Derivative of Capsaicin,Antioxidant
Chemical_Nomenclature : 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide
Canonical SMILES : COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCCCC3CC4Cc5c(c(c6ccc(cc6n5)Cl)N)C(C4)C3
InChI : InChI=1S\/C32H37ClN6O3\/c1-42-29-14-20(5-8-28(29)40)17-35-30(41)16-24-18-39(38-37-24)9-3-2-4-19-10-21-12-22(11-19)31-27(13-21)36-26-15-23(33)6-7-25(26)32(31)34\/h5-8,14-15,18-19,21-22,40H,2-4,9-13,16-17H2,1H3,(H2,34,36)(H,35,41)\/t19-,21+,22-\/m1\/s1
InChIKey : ACGLNWGWENJFEC-BAGYTPMASA-N
Other name(s) : 8U2
MW : 589.13
Formula : C32H37ClN6O3
CAS_number :
PubChem :
UniChem : ACGLNWGWENJFEC-BAGYTPMASA-N
IUPHAR :
Wikipedia :
Target
Families : 8U2-7AIX7AY-compound5i ligand of proteins in family: ACHE || BCHE
Stucture :
Protein : torca-ACHE || human-BCHE
References (1)
| Title : Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP\/PS1 Mice - Viayna_2021_J.Med.Chem_64_812 |
| Author(s) : Viayna E , Coquelle N , Cieslikiewicz-Bouet M , Cisternas P , Oliva CA , Sanchez-Lopez E , Ettcheto M , Bartolini M , De Simone A , Ricchini M , Rendina M , Pons M , Firuzi O , Perez B , Saso L , Andrisano V , Nachon F , Brazzolotto X , Garcia ML , Camins A , Silman I , Jean L , Inestrosa NC , Colletier JP , Renard PY , Munoz-Torrero D |
| Ref : Journal of Medicinal Chemistry , 64 :812 , 2021 |
| Abstract : Viayna_2021_J.Med.Chem_64_812 |
| ESTHER : Viayna_2021_J.Med.Chem_64_812 |
| PubMedSearch : Viayna_2021_J.Med.Chem_64_812 |
| PubMedID: 33356266 |
| Gene_locus related to this paper: human-ACHE |