Molecule Details
| InChIKey | BXOBNALLJPAQHL-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione |
| Canonical SMILES | Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.79 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |