Molecule Details
| InChIKey | MWLSOWXNZPKENC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Zileuton |
| Canonical SMILES | CC(c1cc2ccccc2s1)N(O)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.25 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00744 |
|---|---|
| Drug Name | Zileuton |
| CAS Number | 111406-87-2 |
| Groups | approved withdrawn |
| ATC Codes | nan |
| Description | Leukotrienes are substances that induce numerous biological effects including augmentation of neutrophil and eosinophil migration, neutrophil and monocyte aggregation, leukocyte adhesion, increased capillary permeability, and smooth muscle contraction. These effects contribute to inflammation, edema... |
Categories: Agents to Treat Airway Disease Amides Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Decreased Leukotriene Production Enzyme Inhibitors Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Leukotriene Antagonists Lipoxygenase Inhibitors Peripheral Nervous System Agents Sensory System Agents UGT1A9 Substrates
Cross-references: BindingDB: 50000541 ChEBI: 10112 CHEMBL93 ChemSpider: 54531 D00414 PharmGKB: PA451955 PubChem:60490 PubChem:46506394 RxCUI: 40575 Therapeutic Targets Database: DAP000591 Wikipedia: Zileuton
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P16050 | ALOX15 | Homo sapiens | Human | PF00305 PF01477 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q15722 | LTB4R | Homo sapiens | Human | PF00001 | 6.4 | IC50 | ChEMBL;BindingDB |
| P20292 | ALOX5AP | Homo sapiens | Human | PF01124 | 6.2 | IC50 | ChEMBL;BindingDB |
| P34913 | EPHX2 | Homo sapiens | Human | PF00561 PF00702 | 6.2 | IC50 | ChEMBL;BindingDB |
| O14684 | PTGES | Homo sapiens | Human | PF01124 | 6.2 | IC50 | ChEMBL;BindingDB |
| P09917 | ALOX5 | Homo sapiens | Human | PF00305 PF01477 | 6.2 | IC50 | ChEMBL;BindingDB |
| P09960 | LTA4H | Homo sapiens | Human | PF09127 PF01433 PF17900 | 6.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | substrate | enzymes |
| P09917 | ALOX5 | Polyunsaturated fatty acid 5-lipoxygenase | inhibitor | targets |