InChIKey	UCHDWCPVSPXUMX-TZIWLTJVSA-N
Compound Name	Montelukast
Canonical SMILES	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	6
Pfam Stratification	Cross-Family
Avg pChEMBL	7.18
Source	ChEMBL;BindingDB

DrugBank ID	DB00471
Drug Name	Montelukast
CAS Number	158966-92-8
Groups	approved investigational
ATC Codes	R03DC03 R03DC53
Description	Montelukast was first approved for clinical use by the US FDA in 1998 as Merck's brand name Singulair.[L6301] The medication is a member of the leukotriene receptor antagonist (LTRA) category of drugs.[L6301,L6304,L6307,L6310,L6325,L6328,L6331] Although capable of demonstrating effectiveness, the us...

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Categories: Acids, Acyclic Agents Causing Muscle Toxicity Agents to Treat Airway Disease Anions Anti-Asthmatic Agents Cycloparaffins Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs for Obstructive Airway Diseases Electrolytes Fatty Acids Fatty Acids, Volatile Heterocyclic Compounds, Fused-Ring Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Hydrogen Sulfide Ions Leukotriene Antagonists Leukotriene Modifiers Lipids OATP2B1/SLCO2B1 substrates Respiratory System Agents Sulfur Compounds

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Cross-references: BindingDB: 50052024 ChEBI: 50730 CHEMBL787 ChemSpider: 4444507 Drugs Product Database (DPD): 11784 C07482 D08229 PDB: MTK PharmGKB: PA450546 PubChem:5281040 PubChem:46505585 RxCUI: 88249 Therapeutic Targets Database: DAP000309 Wikipedia: Montelukast ZINC: ZINC000003831151