Drug General Information
Drug ID
D00QET
Former ID
DAP000309
Drug Name
Montelukast
Synonyms
Brondilat; Montair; Singular; Apxi toxin; MK 0476; Brondilat (TN); MK-0476; Montelukast (INN); Montelukast [INN:BAN]; Singulair (TN); Sodium 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropylacetate; {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; (R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid; 1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid; 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Drug Type
Small molecular drug
Indication Asthma [ICD-11: CA23; ICD-10: J45, J45.8; ICD-9: 493] Approved [1], [2]
Therapeutic Class
Antiasthmatic Agents
Company
Schering-Plough Corporation
Structure
Download
2D MOL

3D MOL

Formula
C35H36ClNO3S
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
PubChem Compound ID
PubChem Substance ID
ChEBI ID
ChEBI:50730
SuperDrug ATC ID
R03DC03
SuperDrug CAS ID
cas=158966928
Target and Pathway
Target(s) Leukotriene CysLT1 receptor (CYSLTR1) Target Info Antagonist [3], [4]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
NetPath Pathway TGF_beta_Receptor Signaling Pathway
IL4 Signaling Pathway
IL3 Signaling Pathway
Pathway Interaction Database Endothelins
Reactome Leukotriene receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
References
REF 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).
REF 2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
REF 3 Protective potential of montelukast against hepatic ischemia/reperfusion injury in rats. J Surg Res. 2010 Mar;159(1):588-94.
REF 4 Knockouts model the 100 best-selling drugs--will they model the next 100 Nat Rev Drug Discov. 2003 Jan;2(1):38-51.

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