Chemical Component Summary | |
|---|---|
| Name | zafirlukast |
| Identifiers | cyclopentyl ~{N}-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-indol-5-yl]carbamate |
| Formula | C31 H33 N3 O6 S |
| Molecular Weight | 575.675 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C |
| InChI | InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) |
| InChIKey | YEEZWCHGZNKEEK-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 74 |
| Chiral Atom Count | 0 |
| Bond Count | 78 |
| Aromatic Bond Count | 22 |
Drug Info: DrugBank
| DrugBank ID | DB00549? |
|---|---|
| Name | Zafirlukast |
| Groups |
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| 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 montelukast (Singulair), which is usually taken just once daily. Zafirlukast blocks the action of the cysteinyl leukotrienes on the CysLT1 receptors, thus reducing constriction of the airways, build-up of mucus in the lungs and inflammation of the breathing passages. |
| Synonyms |
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| Brand Names |
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| Indication | For the prophylaxis and chronic treatment of asthma. |
| Categories |
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| ATC-Code | R03DC01 |
| CAS number | 107753-78-6 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | MDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIK... | unknown | antagonist |
| Cytochrome P450 2C9 | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI... | unknown | substrate,inhibitor |
| Cytochrome P450 2C8 | MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI... | unknown | inhibitor |
| Prostaglandin G/H synthase 1 | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG... | unknown | substrate |
| Cytochrome P450 3A4 | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI... | unknown | substrate,inhibitor |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL603 |
| PubChem | 5717 |
| ChEMBL | CHEMBL603 |
| ChEBI | CHEBI:10100 |
| CCDC/CSD | AHILOU, MAJQOE, MAJQUK, AHIHEG, AHIHAC, MAJQIY |
| COD | 4513448, 2014421, 2014422, 4513446, 2014420 |
