Molecule Details
| InChIKey | MPVLIBBHCAVTJX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(4-Amino-3-ethylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine |
| Canonical SMILES | CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |