C7653
General
Type : Piperidine,Derivative of Donepezil
Chemical_Nomenclature : 2-(2,4-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
Canonical SMILES : C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI : InChI=1S\/C20H22Cl2N2O2\/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24\/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)
InChIKey : KHNVQJDWUHRVDK-UHFFFAOYSA-N
Other name(s) : MLS000663765,SMR000293060,2-(2,4-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide,2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide,AC1LRFB6,Ambcb7653174
MW : 393.30
Formula : C20H22Cl2N2O2
CAS_number :
PubChem : 1395053
UniChem : KHNVQJDWUHRVDK-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : C7653 ligand of proteins in family: ACHE
Stucture : 5FOQ Acetylcholinesterase in complex with C7653
Protein : mouse-ACHE
References (2)
| Title : The Nature of Activated Non-classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes - Berg_2016_Chemistry_22_2672 |
| Author(s) : Berg L , Mishra BK , Andersson CD , Ekstrom F , Linusson A |
| Ref : Chemistry , 22 :2672 , 2016 |
| Abstract : Berg_2016_Chemistry_22_2672 |
| ESTHER : Berg_2016_Chemistry_22_2672 |
| PubMedSearch : Berg_2016_Chemistry_22_2672 |
| PubMedID: 26751405 |
| Gene_locus related to this paper: mouse-ACHE |
| Title : Targeting acetylcholinesterase: identification of chemical leads by high throughput screening, structure determination and molecular modeling - Berg_2011_PLoS.One_6_e26039 |
| Author(s) : Berg L , Andersson CD , Artursson E , Hornberg A , Tunemalm AK , Linusson A , Ekstrom F |
| Ref : PLoS ONE , 6 :e26039 , 2011 |
| Abstract : Berg_2011_PLoS.One_6_e26039 |
| ESTHER : Berg_2011_PLoS.One_6_e26039 |
| PubMedSearch : Berg_2011_PLoS.One_6_e26039 |
| PubMedID: 22140425 |
| Gene_locus related to this paper: mouse-ACHE |