Molecule Details
| InChIKey | IOICVMMVGWPRCC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine |
| Canonical SMILES | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.33 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 9.2 | IC50 | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |