Molecule Details
| InChIKey | NXDKJWPLVWUKRS-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-methyl-N-[3-[4-[2-[(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methoxy]phenyl]piperazin-1-yl]propyl]-4-oxo-2-phenylchromene-8-carboxamide |
| Canonical SMILES | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 9.8 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |