Molecule Details
| InChIKey | BGIYKDUASORTBB-UHFFFAOYSA-N |
|---|---|
| Compound Name | PD-169316 |
| Canonical SMILES | O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17040 |
|---|---|
| Drug Name | PD-169316 |
| CAS Number | 152121-53-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | PD-169316 is a p38 MAP kinase inhibitor.[A253062] |
Categories: Enzyme Inhibitors
Cross-references: BindingDB: 50230001 ChEBI: 93358 CHEMBL17331 ChemSpider: 4550 ZINC: ZINC000008536496
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09917 | ALOX5 | Homo sapiens | Human | PF00305 PF01477 | 7.3 | IC50 | ChEMBL;BindingDB |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 7.2 | IC50 | ChEMBL |
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P09917 | ALOX5 | Polyunsaturated fatty acid 5-lipoxygenase | inhibitor | targets |