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CHEBI:50730 - montelukast
| Formula | C35H36ClNO3S |
| Net Charge | 0 |
| Average Mass | 586.197 |
| Monoisotopic Mass | 585.21044 |
| SMILES | CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 |
| InChI | InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1 |
| InChIKey | UCHDWCPVSPXUMX-TZIWLTJVSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antiviral agent A substance that destroys or inhibits replication of viruses. leukotriene antagonist A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| Applications: | antirheumatic drug A drug used to treat rheumatoid arthritis. antitussive An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. anti-allergic agent A drug used to treat allergic reactions. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. hypoglycemic agent A drug which lowers the blood glucose level. anti-asthmatic agent Any compound that has anti-asthmatic effects. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. leukotriene antagonist A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. antiparkinson drug A drug used in the treatment of Parkinson's disease. anti-asthmatic drug A drug used to treat asthma. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| montelukast (CHEBI:50730) has role analgesic (CHEBI:35480) |
| montelukast (CHEBI:50730) has role anti-allergic agent (CHEBI:50857) |
| montelukast (CHEBI:50730) has role anti-anaemic agent (CHEBI:75835) |
| montelukast (CHEBI:50730) has role anti-arrhythmia drug (CHEBI:38070) |
| montelukast (CHEBI:50730) has role anti-asthmatic agent (CHEBI:65023) |
| montelukast (CHEBI:50730) has role anti-asthmatic drug (CHEBI:49167) |
| montelukast (CHEBI:50730) has role anti-HIV agent (CHEBI:64946) |
| montelukast (CHEBI:50730) has role antineoplastic agent (CHEBI:35610) |
| montelukast (CHEBI:50730) has role antiparkinson drug (CHEBI:48407) |
| montelukast (CHEBI:50730) has role antirheumatic drug (CHEBI:35842) |
| montelukast (CHEBI:50730) has role antitussive (CHEBI:51177) |
| montelukast (CHEBI:50730) has role antiviral agent (CHEBI:22587) |
| montelukast (CHEBI:50730) has role hypoglycemic agent (CHEBI:35526) |
| montelukast (CHEBI:50730) has role leukotriene antagonist (CHEBI:49159) |
| montelukast (CHEBI:50730) is a aliphatic sulfide (CHEBI:22327) |
| montelukast (CHEBI:50730) is a monocarboxylic acid (CHEBI:25384) |
| montelukast (CHEBI:50730) is a quinolines (CHEBI:26513) |
| montelukast (CHEBI:50730) is conjugate acid of montelukast(1−) (CHEBI:49165) |
| Incoming Relation(s) |
| montelukast nitrile (CHEBI:48970) has functional parent montelukast (CHEBI:50730) |
| montelukast(1−) (CHEBI:49165) is conjugate base of montelukast (CHEBI:50730) |
| IUPAC Name |
|---|
| {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid |
| INN | Source |
|---|---|
| montelukast | ChEBI |
| Synonyms | Source |
|---|---|
| 1-[[[(1 R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl] phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropaneacetic acid | Patent |
| Brondilat | ChEMBL |
| (R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid | ChemIDplus |
| Montelukast | KEGG COMPOUND |
| MONTELUKAST | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Beilstein:7896575 | Beilstein |
| CAS:158966-92-8 | ChemIDplus |
| CAS:158966-92-8 | KEGG COMPOUND |
| Citations |
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