Molecule Details
| InChIKey | NYHLRBMDXQBOIB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Propan-2-yl 13-(furan-2-yl)-11-methyl-1,8,10-triazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,11-pentaene-12-carboxylate |
| Canonical SMILES | CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3ccccc32)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.1 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL;BindingDB |
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |