Inhibitor Report for: CHEMBL4454960
CHEMBL4454960 | Type | Morpholine |
| | Isoquinoline |
| | Carbamate |
| | Quinazoline |
| Other_Name | compound-1c |
| | CHEMBL4454960 |
| Chemical_Nomenclature | (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-(6-morpholin-4-ylhexyl)carbamate |
| Formula | C28H38N4O3 |
| MW | 478.6 |
| |
| Paper | Gentzsch_2021_ChemMedChem__ |
| Comment | Pseudo-irreversible Inhibitor of Human Butyrylcholinesterase lead for pet tracer |
| Gene_locus | human-BCHE |
| CID | 155523624 |
| Family | BCHE |
| InChIKey | VTWLCCKOONFZLR-UHFFFAOYSA-N |
| CanonicalSMILES | 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) |
|
|