Molecule Details
| InChIKey | NEADMXBONWLZEY-NRFANRHFSA-N |
|---|---|
| Compound Name | 3-[4-[2-[(2S)-1-isoquinolin-5-ylsulfonylpyrrolidin-2-yl]ethyl]piperazin-1-yl]-1,2-benzoxazole |
| Canonical SMILES | O=S(=O)(c1cccc2cnccc12)N1CCC[C@H]1CCN1CCN(c2noc3ccccc23)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |