H0R-7D9P

General

Type : Inden, Piperidine, Derivative of Donepezil

Chemical_Nomenclature : (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

Canonical SMILES : COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F

InChI : InChI=1S\/C24H27F2NO3\/c1-29-21-12-17-11-18(23(28)19(17)13-22(21)30-2)14-24(26)7-9-27(10-8-24)15-16-5-3-4-6-20(16)25\/h3-6,12-13,18H,7-11,14-15H2,1-2H3\/t18-\/m0\/s1

InChIKey : DCZOKUPYRTZAFN-SFHVURJKSA-N

Other name(s) : H0R  ||  Compound 12  ||  (2~{S})-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one


MW : 415.47

Formula : C24H27F2NO3

CAS_number :

PubChem :

UniChem : DCZOKUPYRTZAFN-SFHVURJKSA-N

Target

Families : H0R-7D9P ligand of proteins in family
ACHE

Structure :
7D9P

Protein :
human-ACHE

References (1)

Title : Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate - Zhou_2021_J.Med.Chem_64_1844
Author(s) : Zhou Y , Fu Y , Yin W , Li J , Wang W , Bai F , Xu S , Gong Q , Peng T , Hong Y , Zhang D , Liu Q , Xu Y , Xu HE , Zhang H , Jiang H , Liu H
Ref : Journal of Medicinal Chemistry , 64 :1844 , 2021
Abstract :
PubMedSearch : Zhou_2021_J.Med.Chem_64_1844
PubMedID: 33570950
Gene_locus related to this paper: human-ACHE