Molecule Details
| InChIKey | YEEZWCHGZNKEEK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Zafirlukast |
| Canonical SMILES | COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.21 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00549 |
|---|---|
| Drug Name | Zafirlukast |
| CAS Number | 107753-78-6 |
| Groups | approved investigational |
| ATC Codes | R03DC01 |
| Description | Zafirlukast is an oral leukotriene receptor antagonist (LTRA) for the maintenance treatment of asthma, often used in conjunction with an inhaled steroid and/or long-acting bronchodilator. It is available as a tablet and is usually dosed twice daily. Another leukotriene receptor antagonist is montelu... |
Categories: Acids, Acyclic Agents to Treat Airway Disease Amides Anti-Asthmatic Agents Carbamates Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Inhibitors (strong) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (moderate) Cytochrome P-450 CYP2C19 Inhibitors (strong) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors (strong) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (weak) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs for Obstructive Airway Diseases Heterocyclic Compounds, Fused-Ring Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Leukotriene Antagonists Leukotriene Modifiers NTCP Inhibitors Respiratory System Agents Sulfones Sulfur Compounds
Cross-references: BindingDB: 50009073 ChEBI: 10100 CHEMBL603 ChemSpider: 5515 Drugs Product Database (DPD): 11685 Guide to Pharmacology: 3322 IUPHAR: 3322 C07206 D00411 PDB: ZLK PharmGKB: PA451949 PubChem:5717 PubChem:46506874 RxCUI: 114970 Therapeutic Targets Database: DAP000091 Wikipedia: Zafirlukast ZINC: ZINC000000896717
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y271 | CYSLTR1 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9NS75 | CYSLTR2 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | substrate | enzymes |
| Q9Y271 | CYSLTR1 | Cysteinyl leukotriene receptor 1 | antagonist | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | antagonist | transporters |
| Q14973 | SLC10A1 | Hepatic sodium/bile acid cotransporter | inhibitor | transporters |