CHEMBL4454960
Pseudo-irreversible Inhibitor of Human Butyrylcholinesterase lead for pet tracer
General
Type : Morpholine,Isoquinoline,Carbamate,Quinazoline
Chemical_Nomenclature : (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-(6-morpholin-4-ylhexyl)carbamate
Canonical SMILES : CN1C2C3=CC=CC=C3CCN2CC4=C1C=CC(=C4)OC(=O)NCCCCCCN5CCOCC5
InChI : InChI=1S\/C28H38N4O3\/c1-30-26-11-10-24(20-23(26)21-32-15-12-22-8-4-5-9-25(22)27(30)32)35-28(33)29-13-6-2-3-7-14-31-16-18-34-19-17-31\/h4-5,8-11,20,27H,2-3,6-7,12-19,21H2,1H3,(H,29,33)
InChIKey : VTWLCCKOONFZLR-UHFFFAOYSA-N
Other name(s) : compound-1c,CHEMBL4454960
MW : 478.6
Formula : C28H38N4O3
CAS_number :
PubChem : 155523624
UniChem : VTWLCCKOONFZLR-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
References (1)
| Title : Synthesis and Initial Characterization of a Selective, Pseudo-irreversible Inhibitor of Human Butyrylcholinesterase as PET Tracer - Gentzsch_2021_ChemMedChem__ |
| Author(s) : Gentzsch C , Hoffmann M , Ohshima Y , Nose N , Chen X , Higuchi T , Decker M |
| Ref : ChemMedChem , : , 2021 |
| Abstract : Gentzsch_2021_ChemMedChem__ |
| ESTHER : Gentzsch_2021_ChemMedChem__ |
| PubMedSearch : Gentzsch_2021_ChemMedChem__ |
| PubMedID: 33645891 |