Molecule Details
| InChIKey | XDBHURGONHZNJF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tetomilast |
| Canonical SMILES | CCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.13 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05298 |
|---|---|
| Drug Name | Tetomilast |
| CAS Number | 145739-56-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Tetomilast has been used in trials studying the treatment of Crohn Disease, Colitis, Ulcerative, and Chronic Obstructive Pulmonary Disease. |
Categories: Sulfur Compounds
Cross-references: BindingDB: 50035677 CHEMBL332750 ChemSpider: 2291461 PubChem:3025803 PubChem:175426973 ZINC: ZINC000000600360
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 7.1 | IC50 | ChEMBL |
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 7.1 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 7.1 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q08499 | PDE4D | 3',5'-cyclic-AMP phosphodiesterase 4D | binder | targets |