Drug Information

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 [ICD10:J45] Approved [536361], [540299]
Therapeutic Class
Antiasthmatic Agents
Company
Schering-Plough Corporation
Structure
Download
2D MOL

3D MOL
Formula
C35H36ClNO3S
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
CAS Number
CAS 158966-92-8
PubChem Compound ID
5281040
PubChem Substance ID
9685, 8616482, 14886895, 14886896, 39289972, 46505585, 48416293, 50064526, 53786760, 56352853, 57357981, 75937172, 92308743, 93166552, 96024917, 103207442, 103948950, 113854447, 124899385, 126681707, 127278617, 127278618, 127278619, 127278620, 127278621, 127278622, 127278623, 127278624, 127278625, 127278626, 127278627, 127278628, 127278629, 127278630, 127278631, 127278632, 127278633, 127278634, 127278635, 127278636, 134337621, 135039402, 137156298, 140071379, 160963817, 162011440, 163669670, 172440032, 175268932, 175612182
ChEBI ID
ChEBI:50730
SuperDrug ATC ID
R03DC03
SuperDrug CAS ID
cas=158966928
Target and Pathway
Target(s) Cysteinyl leukotriene receptor 1 Target Info Antagonist [535660], [537451]
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 536361Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20.
Ref 540299(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 535660Knockouts model the 100 best-selling drugs--will they model the next 100? Nat Rev Drug Discov. 2003 Jan;2(1):38-51.
Ref 537451Protective Potential of Montelukast Against Hepatic Ischemia/Reperfusion Injury in Rats. J Surg Res. 2008 Sep 7.

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