Molecule Details
| InChIKey | OTEFKTISRAMNKM-WTLQVUHWSA-N |
|---|---|
| Compound Name | (R)-7-[8-(2-Oxo-1,2,3,4-tetrahydro-quinolin-7-ylmethyl)-3-aza-bicyclo[3.2.1]oct-3-ylmethyl]-7,8-dihydro-3H-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalen-2-one |
| Canonical SMILES | O=C1CCc2ccc(CC3C4CCC3CN(C[C@@H]3COc5c(ccc6c5CC(=O)N6)O3)C4)cc2N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 8.8 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |