SB-1448
Embelin-Aryl/alkyl Amine Hybrid. Inhibits human acetylcholinesterase (hAChE), human butyrylcholinesterase (hBChE), and human BACE-1 (hBACE-1) with IC50 values of 0.15, 1.6, and 0.6 microM, respectively. Embelin is a member of the class of dihydroxy-1,4-benzoquinones. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. It has a role as a hepatitis C protease inhibitor, an antimicrobial agent, an antineoplastic agent and a plant metabolite
General
Type : Multitarget,Derivative of Donepezil,BACE1-inhibitor,Piperidine
Chemical_Nomenclature :
Canonical SMILES : [C]CCCCCCCCCCC1=C(C([C]=C(C1=O)[N]CC[C]2CCN(CC2)CC3=[C][C]=[C][C]=[C]3)=O)[O]
InChI : InChI=1S\/C31H46N2O3\/c1-2-3-4-5-6-7-8-9-13-16-27-30(35)28(23-29(34)31(27)36)32-20-17-25-18-21-33(22-19-25)24-26-14-11-10-12-15-26\/h10-12,14-15,23,25,32,36H,2-9,13,16-22,24H2,1H3
InChIKey : CYQUVORXHWTTLL-UHFFFAOYSA-N
Other name(s) : Compound 9j
MW : 494.716
Formula : C31H46N2O3
CAS_number :
PubChem :
UniChem : CYQUVORXHWTTLL-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : SB-1448 ligand of proteins in family: BCHE || ACHE
Stucture :
Protein : human-BCHE || human-ACHE
References (1)
| Title : Design, Synthesis, and Pharmacological Evaluation of Embelin-Aryl\/alkyl Amine Hybrids as Orally Bioavailable Blood-Brain Barrier Permeable Multitargeted Agents with Therapeutic Potential in Alzheimer's Disease: Discovery of SB-1448 - Nuthakki_2023_ACS.Chem.Neurosci_14_1193 |
| Author(s) : Nuthakki VK , Choudhary S , Reddy CN , Bhatt S , Jamwal A , Jotshi A , Raghuvanshi R , Sharma A , Thakur S , Jadhav HR , Bharate SS , Nandi U , Kumar A , Bharate SB |
| Ref : ACS Chem Neurosci , 14 :1193 , 2023 |
| Abstract : Nuthakki_2023_ACS.Chem.Neurosci_14_1193 |
| ESTHER : Nuthakki_2023_ACS.Chem.Neurosci_14_1193 |
| PubMedSearch : Nuthakki_2023_ACS.Chem.Neurosci_14_1193 |
| PubMedID: 36812360 |