CHEMBL4534662
IC50 AChE 15.8 +/- 0.7 nM; BChE 52.6 +/- 5.6
General
Type : Derivative of Tacrine, Multitarget, Feruloyl, Acrylate, Antioxidant, Hydroxycinnamic-ester, Alkyl linked bis-ligand
Chemical_Nomenclature : (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]prop-2-enamide
Canonical SMILES : COC1=C(C=CC(=C1)\/C=C\/C(=O)NCCNC2=C3CCCCC3=NC4=CC=CC=C42)OCC5=CC=CC=C5
InChI : InChI=1S\/C32H33N3O3\/c1-37-30-21-23(15-17-29(30)38-22-24-9-3-2-4-10-24)16-18-31(36)33-19-20-34-32-25-11-5-7-13-27(25)35-28-14-8-6-12-26(28)32\/h2-5,7,9-11,13,15-18,21H,6,8,12,14,19-20,22H2,1H3,(H,33,36)(H,34,35)\/b18-16+
InChIKey : VLBMEFQKZXFPCO-FBMGVBCBSA-N
Other name(s) : CYP36 || (E)-3-(4-(Benzyloxy)-3-methoxyphenyl)-N-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)acrylamide || BDBM50510836 || compound 36
MW : 507.6
Formula : C32H33N3O3
CAS_number :
PubChem : 155547289
UniChem : VLBMEFQKZXFPCO-FBMGVBCBSA-N
Target
Families : CHEMBL4534662 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (2)
| Title : Synthesis, pharmacology and molecular docking on multifunctional tacrine-ferulic acid hybrids as cholinesterase inhibitors against Alzheimer's disease - Zhu_2018_J.Enzyme.Inhib.Med.Chem_33_496 |
| Author(s) : Zhu J , Yang H , Chen Y , Lin H , Li Q , Mo J , Bian Y , Pei Y , Sun H |
| Ref : J Enzyme Inhib Med Chem , 33 :496 , 2018 |
| Abstract : |
| PubMedSearch : Zhu_2018_J.Enzyme.Inhib.Med.Chem_33_496 |
| PubMedID: 29405075 |
| Title : Design, synthesis, in vitro and in vivo evaluation of tacrinecinnamic acid hybrids as multi-target acetyl- and butyrylcholinesterase inhibitors against Alzheimer's disease - Chen_2017_RSC.Adv_7_33851 |
| Author(s) : Chen Y , Lin H , Zhu J , Gu K , Li Q , He S , Lu X , Tan R , Pei Y , Wu L , Bian Y , Sun H |
| Ref : RSC Adv , 7 :33851 , 2017 |
| Abstract : |
| PubMedSearch : Chen_2017_RSC.Adv_7_33851 |
| PubMedID: |