SCHEMBL24135488
histamine H3 receptor (H3R) antagonist affinity (EC50 =0.119 microM) and acetylcholinesterase inhibitory effect (hAChE IC50=0.067 muM and hBChE IC50=1.284 muM). Calcium antagonism at 10muM 34% IC50 72;78 muM (23.93-221.31 95% interval)
General
Type : Multitarget, Calcium Channel Antagonist, anti-Abeta-aggregation, Derivative of Donepezil, Histamine-Receptor3-H3-Antagonist
Chemical_Nomenclature : ethyl 3-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-2-oxo-6-[4-(5-piperidin-1-ylpentoxy)phenyl]-1,6-dihydropyrimidine-5-carboxylate
Canonical SMILES : CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OCCCCCN3CCCCC3)CCC4CCN(CC4)CC5=CC=CC=C5)C
InChI : InChI=1S\/C38H54N4O4\/c1-3-45-37(43)35-30(2)42(27-21-31-19-25-41(26-20-31)29-32-13-7-4-8-14-32)38(44)39-36(35)33-15-17-34(18-16-33)46-28-12-6-11-24-40-22-9-5-10-23-40\/h4,7-8,13-18,31,36H,3,5-6,9-12,19-29H2,1-2H3,(H,39,44)
InChIKey : XHEBFPQSKYLNII-UHFFFAOYSA-N
Other name(s) : Compound 3e
MW : 630.9
Formula : C38H54N4O4
CAS_number :
PubChem : 166906312
UniChem : XHEBFPQSKYLNII-UHFFFAOYSA-N
References (1)
| Title : Discovery of New Highly Potent Histamine H(3) Receptor Antagonists, Calcium Channel Blockers, and Acetylcholinesterase Inhibitors - Malek_2024_ACS.Chem.Neurosci__ |
| Author(s) : Malek R , Salat K , Totoson P , Karcz T , Refouvelet B , Skrzypczak-Wiercioch A , Maj M , Simakov A , Martin H , Siwek A , Szalaj N , Godyn J , Panek D , Wieckowska A , Jozwiak K , Demougeot C , Kiec-Kononowicz K , Chabchoub F , Iriepa I , Marco-Contelles J , Ismaili L |
| Ref : ACS Chem Neurosci , : , 2024 |
| Abstract : |
| PubMedSearch : Malek_2024_ACS.Chem.Neurosci__ |
| PubMedID: 39208251 |