CHEMBL4177075-INDY
bio-oxidizable prodrug of both ChE and DYRK1A inhibitors (the dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A)) IC50 hACHE 0.0814 microM IC50 hBCHE 0.482 microM
General
Type : Multitarget, Benzothiazol, Carbamate, Quinoline
Chemical_Nomenclature : 2-[2-[[5-(dimethylcarbamoyloxy)-1-methylquinolin-1-ium-3-carbonyl]amino]ethoxy]ethyl [(2Z)-3-ethyl-2-(2-oxopropylidene)-1,3-benzothiazol-5-yl] carbonate\;methyl sulfate
Canonical SMILES : CCN1C2=C(C=CC(=C2)OC(=O)OCCOCCNC(=O)C3=CC4=C(C=CC=C4OC(=O)N(C)C)[N+](=C3)C)SC1=CC(=O)C.COS(=O)(=O)[O-]
InChI : InChI=1S\/C31H34N4O8S.CH4O4S\/c1-6-35-25-18-22(10-11-27(25)44-28(35)16-20(2)36)42-31(39)41-15-14-40-13-12-32-29(37)21-17-23-24(34(5)19-21)8-7-9-26(23)43-30(38)33(3)4\;1-5-6(2,3)4\/h7-11,16-19H,6,12-15H2,1-5H3\;1H3,(H,2,3,4)\/b28-16-\;
InChIKey : ZSFKPACEHFMZRW-JCDSVUNTSA-N
Other name(s) : Compound 14 || CHEMBL5219350 || BDBM50606807
MW : 734.8
Formula : C32H38N4O12S2
CAS_number :
PubChem : 168299410
UniChem : ZSFKPACEHFMZRW-JCDSVUNTSA-N
Target
Families : CHEMBL4177075-INDY ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Design, Synthesis, and In Vitro Biological Activities of a Bio-Oxidizable Prodrug to Deliver Both ChEs and DYRK1A Inhibitors for AD Therapy - Barre_2019_Molecules_24_ |
| Author(s) : Barre A , Azzouz R , Gembus V , Papamicael C , Levacher V |
| Ref : Molecules , 24 : , 2019 |
| Abstract : |
| PubMedSearch : Barre_2019_Molecules_24_ |
| PubMedID: 30939771 |