Molecule Details
| InChIKey | JNNRPCIJBHGVIT-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-[4-[2-(diethylamino)ethoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione |
| Canonical SMILES | CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.79 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 9.6 | Ki | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |