Molecule Details
| InChIKey | YSPOTMDNGADFCJ-WUVHBKSUSA-N |
|---|---|
| Canonical SMILES | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.05 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 9.5 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |