Molecule Details
| InChIKey | HJPRDDKCXVCFOH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Denbufylline |
| Canonical SMILES | CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19482 |
|---|---|
| Drug Name | Denbufylline |
| CAS Number | 57076-71-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Denbufylline is a small molecule drug. The usage of the INN stem '-fylline' in the name indicates that Denbufylline is a N-methylated xanthine derivative. Denbufylline has a monoisotopic molecular weight of 320.18 Da. |
Categories: Alkaloids Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Phosphodiesterase Inhibitors Purines Purinones
Cross-references: BindingDB: 50047247 ChEBI: 92669 CHEMBL277465 ZINC: ZINC000001999244
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 9.8 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 9.8 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 9.8 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 9.8 | IC50 | ChEMBL |