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 Mol2D MOL |
|||
Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
Formula |
C35H36ClNO3S
|
|||
PubChem CID | ||||
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 | ||||
TTD Drug ID | ||||
DrugBank ID |
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 |