Drug Details

General Information of the Drug (ID: DR5683)
Name
Montelukast
Synonyms
montelukast; 158966-92-8; Singulair; UNII-MHM278SD3E; (R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid; CHEMBL787; MHM278SD3E; CHEBI:50730; Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-; Montelukast [INN:BAN]; (R,E)-2-(1-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid; 142522-28-9; Aerokast; Brondilat (TN); 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; 2-[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; Montelukast (INN); SR-01000763441; HSDB 7582; 1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid; cc-91; SCHEMBL4486; SCHEMBL4487; {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid; BIDD:GT0394; GTPL3340; DTXSID9023334; CHEBI:94710; HMS2089D07; HMS3715N13; HMS3886L03; ACT04773; ZINC3831151; BDBM50052024; HY-13315A; AKOS025310659; CCG-221186; DB00471; SB19081; NCGC00188977-01; {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; 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid; Cyclopropaneacetic acid, 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, (R-(E))-; CS-0002595; S5783; 5306-EP2270008A1; 5306-EP2276739A1; 5306-EP2280006A1; 5306-EP2281813A1; 5306-EP2281815A1; 5306-EP2281819A1; 5306-EP2284166A1; 5306-EP2287154A1; 5306-EP2288595A2; 5306-EP2292617A1; 5306-EP2292619A1; 5306-EP2295409A1; 5306-EP2298415A1; 5306-EP2301933A1; 5306-EP2305640A2; 5306-EP2305659A1; 5306-EP2308562A2; 5306-EP2311818A1; 5306-EP2311827A1; 5306-EP2314590A1; C07482; D08229; AB01275454-01; 522M289; Q417767; SR-01000763441-3; SR-01000763441-5; BRD-K99673372-001-01-9; 1-[[[(R)-3-[2-(1-Hydroxy-1-methylethyl)phenyl]-1-[3-[2-(7-chloroquinoline-2-yl)ethenyl]phenyl]propyl]thio]methyl]cyclopropane-1-acetic acid; 1124196-02-6; r-(e)-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid
    Click to Show/Hide
Molecular Type
Small molecule
Disease Asthma [ICD-11: CA23] Approved [1]
Structure
Click to Download Mol
2D MOL

3D MOL

    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C35H36ClNO3S
PubChem CID
5281040
Canonical SMILES
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
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
CAS Number
CAS 158966-92-8
ChEBI ID
CHEBI:50730
TTD Drug ID
D00QET
DrugBank ID
DB00471
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Iloprost      Homo sapiens     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Expression IL6  Molecule Info 
Pathway MAP
                    Experimental
                    Result(s)		 Combined use of iloprost and montelukast may reduce ischemic damage in transient spinal cord ischemia and may provide better neurological outcome.
Target and Pathway
Target(s) Leukotriene CysLT1 receptor (CYSLTR1)  Molecule Info  [3]
KEGG Pathway Calcium signaling pathway Click to Show/Hide
2 Neuroactive ligand-receptor interaction
NetPath Pathway TGF_beta_Receptor Signaling Pathway Click to Show/Hide
2 IL4 Signaling Pathway
3 IL3 Signaling Pathway
Pathway Interaction Database Endothelins Click to Show/Hide
Reactome Leukotriene receptors Click to Show/Hide
2 G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like Click to Show/Hide
2 Gastrin-CREB signalling pathway via PKC and MAPK
3 GPCR ligand binding
4 GPCR downstream signaling
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3340).
Reference 2 Efficacy of iloprost and montelukast combination on spinal cord ischemia/reperfusion injury in a rat model. J Cardiothorac Surg. 2013 Apr 4;8:64.
Reference 3 Protective potential of montelukast against hepatic ischemia/reperfusion injury in rats. J Surg Res. 2010 Mar;159(1):588-94.
 Download Picture         KEGG Link