Molecule Details
| InChIKey | HQSBCDPYXDGTCL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vipadenant |
| Canonical SMILES | Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.31 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06625 |
|---|---|
| Drug Name | Vipadenant |
| CAS Number | 442908-10-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Adenosine A2 Receptor Antagonists Neurotransmitter Agents Purinergic Agents Purinergic Antagonists Purinergic P1 Receptor Antagonists
Cross-references: BindingDB: 50254013 CHEMBL447664 ChemSpider: 10620930 PDB: 9XT ZINC: ZINC000040863182
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P29274 | ADORA2A | Adenosine receptor A2a | antagonist | targets |