18-E100
histamine H3 receptor (H3R) antagonist affinity (hH3R Ki=203 nM) and acetylcholine esterase inhibitory effect (EeAChE IC50=1.93 muM and EqBuChE IC50=1.64 muM)
General
Type : Multitarget,Azepane,Histamine-Receptor3-H3-Antagonist
Chemical_Nomenclature : 1-[7-(4-chlorophenoxy)heptyl]azepane
Canonical SMILES : C1CCCN(CC1)CCCCCCCOC2=CC=C(C=C2)Cl
InChI : InChI=1S\/C19H30ClNO\/c20-18-10-12-19(13-11-18)22-17-9-5-1-2-6-14-21-15-7-3-4-8-16-21\/h10-13H,1-9,14-17H2
InChIKey : RIFYNBIQUGNAIX-UHFFFAOYSA-N
Other name(s) : CHEMBL3747910,CHEMBL3746908,BDBM50134490
MW : 323.90
Formula : C19H30ClNO
CAS_number :
PubChem : 127041626
UniChem : RIFYNBIQUGNAIX-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 18-E100 ligand of proteins in family: ACHE || BCHE || Cholinesterase
Stucture :
Protein :
References (2)
| Title : The dual-active histamine H3 receptor antagonist and acetylcholine esterase inhibitor E100 ameliorates stereotyped repetitive behavior and neuroinflammation in sodium valproate induced autism in mice - Eissa_2019_Chem.Biol.Interact__108775 |
| Author(s) : Eissa N , Azimullah S , Jayaprakash P , Jayaraj RL , Reiner D , Ojha SK , Beiram R , Stark H , Lazewska D , Kiec-Kononowicz K , Sadek B |
| Ref : Chemico-Biological Interactions , :108775 , 2019 |
| Abstract : Eissa_2019_Chem.Biol.Interact__108775 |
| ESTHER : Eissa_2019_Chem.Biol.Interact__108775 |
| PubMedSearch : Eissa_2019_Chem.Biol.Interact__108775 |
| PubMedID: 31369746 |
| Title : Cholinesterase inhibitory activity of chlorophenoxy derivatives-Histamine H3 receptor ligands - Lazewska_2016_Bioorg.Med.Chem.Lett_26_4140 |
| Author(s) : Lazewska D , Jonczyk J , Bajda M , Szalaj N , Wieckowska A , Panek D , Moore C , Kuder K , Malawska B , Kiec-Kononowicz K |
| Ref : Bioorganic & Medicinal Chemistry Lett , 26 :4140 , 2016 |
| Abstract : Lazewska_2016_Bioorg.Med.Chem.Lett_26_4140 |
| ESTHER : Lazewska_2016_Bioorg.Med.Chem.Lett_26_4140 |
| PubMedSearch : Lazewska_2016_Bioorg.Med.Chem.Lett_26_4140 |
| PubMedID: 27445168 |