Molecule Details
| InChIKey | JJWKQXNHYDJXKF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Mk-0873 |
| Canonical SMILES | O=C(NC1CC1)c1cn(-c2cccc(C#Cc3ccc[n+]([O-])c3)c2)c2ncccc2c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13029 |
|---|---|
| Drug Name | MK-0873 |
| CAS Number | 500355-52-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | MK-0873 has been used in trials studying the treatment of Rheumatoid Arthritis. |
Categories: Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Phosphodiesterase 4 Inhibitors Phosphodiesterase Inhibitors
Cross-references: BindingDB: 50274267 CHEMBL485629 ChemSpider: 8095319 PubChem:9919680 PubChem:347829163 ZINC: ZINC000034027294
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 8.3 | IC50 | ChEMBL;BindingDB |
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 7.5 | IC50 | ChEMBL |