AChE-IN-14
IC50 = 0.46 microM (AChE); 0.44 microM (BuChE); Ki = 159.8 nM (H3R)
General
Type : Multitarget, Azepane, Chromen, Histamine-Receptor3-H3-Antagonist
Chemical_Nomenclature : 2-[4-[6-(azepan-1-yl)hexoxy]phenyl]-6-methylchromen-4-one
Canonical SMILES : CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=C(C=C3)OCCCCCCN4CCCCCC4
InChI : InChI=1S\/C28H35NO3\/c1-22-10-15-27-25(20-22)26(30)21-28(32-27)23-11-13-24(14-12-23)31-19-9-5-4-8-18-29-16-6-2-3-7-17-29\/h10-15,20-21H,2-9,16-19H2,1H3
InChIKey : UKIGXRPAJQOYHR-UHFFFAOYSA-N
Other name(s) : CHEMBL4455690 || 2390042-05-2 || orb1687603 || BDBM50519406 || Compound 5 || HY-146035
MW : 433.6
Formula : C28H35NO3
CAS_number :
PubChem : 155524877
UniChem : UKIGXRPAJQOYHR-UHFFFAOYSA-N
Target
Families : AChE-IN-14 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Search for new multi-target compounds against Alzheimer's disease among histamine H3 receptor ligands - Bajda_2019_Eur.J.Med.Chem_185_111785 |
| Author(s) : Bajda M , Lazewska D , Godyn J , Zareba P , Kuder K , Hagenow S , Latka K , Stawarska E , Stark H , Kiec-Kononowicz K , Malawska B |
| Ref : Eur Journal of Medicinal Chemistry , 185 :111785 , 2019 |
| Abstract : |
| PubMedSearch : Bajda_2019_Eur.J.Med.Chem_185_111785 |
| PubMedID: 31669851 |