Molecule Details
| InChIKey | MTHYDGIDFZWZRZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 11-(Furan-2-yl)-4-(3-phenylpropyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine |
| Canonical SMILES | Nc1nc2cn(CCCc3ccccc3)nc2c2nc(-c3ccco3)nn12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |