Tacrine-methylanacardate-cpd5
hBChE IC50 = 0.0352 nM hAChE IC50 = 20.8 nM || Derivative of anacardic acid, an anti-inflammatory and major constituent of cashew nutshell liquid (CNSL). CNSL is an abundant byproduct derived from cashew (Anacardium occidentale L)
General
Type : Multitarget,Derivative of Tacrine,Salicylic,Alkyl linked bis-ligand,Benzoate
Chemical_Nomenclature : Methyl 2-Methoxy-6-(8-((1,2,3,4-tetrahydroacridin-9-yl)amino)octyl)benzoate
Canonical SMILES : C2=CC1=NC4=C(C(=C1C=C2)NCCCCCCCCC3=CC=CC(=C3C(OC)=O)OC)CCCC4
InChI : InChI=1S\/C30H38N2O3\/c1-34-27-20-13-15-22(28(27)30(33)35-2)14-7-5-3-4-6-12-21-31-29-23-16-8-10-18-25(23)32-26-19-11-9-17-24(26)29\/h8,10,13,15-16,18,20H,3-7,9,11-12,14,17,19,21H2,1-2H3,(H,31,32)
InChIKey : OWFPUTJZUAQYFR-UHFFFAOYSA-N
Other name(s) : TKN
MW : 475.29
Formula : C30H38N2O3
CAS_number :
PubChem : 155923726
UniChem : OWFPUTJZUAQYFR-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Tacrine-methylanacardate-cpd5 ligand of proteins in family: BCHE
Stucture : 7BGC Human Butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor
Protein : human-BCHE
References (1)
| Title : Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease - Rossi_2021_J.Med.Chem_64_4972 |
| Author(s) : Rossi M , Freschi M , de Camargo Nascente L , Salerno A , de Melo Viana Teixeira S , Nachon F , Chantegreil F , Soukup O , Prchal L , Malaguti M , Bergamini C , Bartolini M , Angeloni C , Hrelia S , Soares Romeiro LA , Bolognesi ML |
| Ref : Journal of Medicinal Chemistry , 64 :4972 , 2021 |
| Abstract : Rossi_2021_J.Med.Chem_64_4972 |
| ESTHER : Rossi_2021_J.Med.Chem_64_4972 |
| PubMedSearch : Rossi_2021_J.Med.Chem_64_4972 |
| PubMedID: 33829779 |
| Gene_locus related to this paper: human-BCHE |