CHEMBL3322160
IC50 human AChE 0.0154 microM. human BuChE (hBuChE) 0.328 microM
General
Type : Acridine, Derivative of Tacrine, Alkyl linked bis-ligand, Multitarget, Coumarin, Chromen
Chemical_Nomenclature : 2-(7-hydroxy-2-oxochromen-4-yl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]acetamide
Canonical SMILES : C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCNC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)O
InChI : InChI=1S\/C28H29N3O4\/c32-19-11-12-20-18(16-27(34)35-25(20)17-19)15-26(33)29-13-5-6-14-30-28-21-7-1-3-9-23(21)31-24-10-4-2-8-22(24)28\/h1,3,7,9,11-12,16-17,32H,2,4-6,8,10,13-15H2,(H,29,33)(H,30,31)
InChIKey : NZAHEPIMJGOXMA-UHFFFAOYSA-N
Other name(s) : BDBM50056134 || Compound 7c
MW : 471.5
Formula : C28H29N3O4
CAS_number :
PubChem : 102369423
UniChem : NZAHEPIMJGOXMA-UHFFFAOYSA-N
Target
Families : CHEMBL3322160 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Synthesis and biological evaluation of novel tacrine derivatives and tacrine-coumarin hybrids as cholinesterase inhibitors - Hamulakova_2014_J.Med.Chem_57_7073 |
| Author(s) : Hamulakova S , Janovec L , Hrabinova M , Spilovska K , Korabecny J , Kristian P , Kuca K , Imrich J |
| Ref : Journal of Medicinal Chemistry , 57 :7073 , 2014 |
| Abstract : |
| PubMedSearch : Hamulakova_2014_J.Med.Chem_57_7073 |
| PubMedID: 25089370 |