8UH-7AIS-compound5b
Coquelle, N.,Colletier, J.P.
General
Type : Derivative of Huperzine,Quinoline,Alkyl linked bis-ligand,Multitarget,Derivative of Capsaicin,Antioxidant
Chemical_Nomenclature : 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide
Canonical SMILES : CC1=C[CH]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[CH](C2)C1
InChI : InChI=1S\/C31H36ClN3O3\/c1-19-12-21-14-22(13-19)30-26(15-21)35-25-17-23(32)8-9-24(25)31(30)33-11-5-3-4-6-29(37)34-18-20-7-10-27(36)28(16-20)38-2\/h7-10,12,16-17,21-22,36H,3-6,11,13-15,18H2,1-2H3,(H,33,35)(H,34,37)\/t21-,22+\/m0\/s1
InChIKey : AUFZKQKTTGOKEM-FCHUYYIVSA-N
Other name(s) : 8UH
MW : 534.09
Formula : C31H36ClN3O3
CAS_number :
PubChem :
UniChem : AUFZKQKTTGOKEM-FCHUYYIVSA-N
IUPHAR :
Wikipedia :
Target
Families : 8UH-7AIS-compound5b ligand of proteins in family: ACHE
Stucture : 7AIS Crystal structure of Torpedo Californica acetylcholinesterase in complex with 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide compound 5b
Protein : torca-ACHE
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 |