Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D00QET
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| Former ID |
DAP000309
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| Drug Name |
Montelukast
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| 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
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| Drug Type |
Small molecular drug
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| Indication | Asthma [ICD-11: CA23; ICD-10: J45, J45.8; ICD-9: 493] | Approved | [1], [2] | |
| Therapeutic Class |
Antiasthmatic Agents
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| Company |
Schering-Plough Corporation
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| Structure |
 |
Download2D MOL |
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| Formula |
C35H36ClNO3S
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| 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
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| 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
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| InChIKey |
UCHDWCPVSPXUMX-TZIWLTJVSA-N
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| CAS Number |
CAS 158966-92-8
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| PubChem Compound ID | ||||
| 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
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| ChEBI ID |
CHEBI:50730
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| ADReCS Drug ID | BADD_D01496 ; BADD_D01497 | |||
| SuperDrug ATC ID |
R03DC03
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| SuperDrug CAS ID |
cas=158966928
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bacteroidales | ||||
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Studied Microbe: Bacteroides uniformis CL03T00C23
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be accumulated by Bacteroides uniformis CL03T00C23. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bifidobacteriales | ||||
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Studied Microbe: Bifidobacterium animalis subsp.lactis BI-07
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be accumulated by Bifidobacterium animalis subsp.lactis BI-07. | |||
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Studied Microbe: Bifidobacterium longum subsp. infantis ATCC 15697
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be accumulated by Bifidobacterium longum subsp. infantis ATCC 15697. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Enterobacterales | ||||
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Studied Microbe: Escherichia coli IAI1
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be metabolized by Escherichia coli IAI1. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Clostridium saccharolyticum DSM 2544
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be metabolized by Clostridium saccharolyticum DSM 2544. | |||
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Studied Microbe: Coprococcus comes ATCC 27758
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be metabolized by Coprococcus comes ATCC 27758. | |||
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Studied Microbe: Enterocloster bolteae ATCC BAA-613
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be accumulated by Enterocloster bolteae ATCC BAA-613. | |||
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Studied Microbe: Eubacterium rectale DSM 17629
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be metabolized by Eubacterium rectale DSM 17629. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Fusobacteriales | ||||
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Studied Microbe: Fusobacterium nucleatum subsp. nucleatum ATCC 25586
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be metabolized by Fusobacterium nucleatum subsp. nucleatum ATCC 25586. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Lactobacillales | ||||
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Studied Microbe: Streptococcus salivarius
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[3] | |||
| Hierarchy | ||||
| Description | Montelukast can be metabolized by Streptococcus salivarius. | |||
| The Abundace of Studied Microbe(s) Regulated by Drug | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bacteroidales | ||||
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Studied Microbe: Parabacteroides distasonis
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Parabacteroides distasonis was decreased by Montelukast (adjusted p-values: 4.93E-07). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Clostridioides difficile
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Clostridioides difficile was decreased by Montelukast (adjusted p-values: 8.69E-04). | |||
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Studied Microbe: Clostridium perfringens
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Clostridium perfringens was decreased by Montelukast (adjusted p-values: 9.55E-05). | |||
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Studied Microbe: Coprococcus comes
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Coprococcus comes was decreased by Montelukast (adjusted p-values: 2.35E-04). | |||
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Studied Microbe: Eubacterium rectale
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Eubacterium rectale was decreased by Montelukast (adjusted p-values: 7.49E-03). | |||
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Studied Microbe: Roseburia intestinalis
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Roseburia intestinalis was decreased by Montelukast (adjusted p-values: 6.74E-04). | |||
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Studied Microbe: Ruminococcus gnavus
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Ruminococcus gnavus was decreased by Montelukast (adjusted p-values: 9.59E-04). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Lactobacillales | ||||
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Studied Microbe: Streptococcus salivarius
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Streptococcus salivarius was decreased by Montelukast (adjusted p-values: 1.92E-06). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Leukotriene CysLT1 receptor (CYSLTR1) | Target Info | Antagonist | [5], [6] |
| 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 | Top | |||
|---|---|---|---|---|
| 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 | Bioaccumulation of therapeutic drugs by human gut bacteria. Nature. 2021 Sep;597(7877):533-538. | |||
| REF 4 | Extensive impact of non-antibiotic drugs on human gut bacteria. Nature. 2018 Mar 29;555(7698):623-628. | |||
| REF 5 | Protective potential of montelukast against hepatic ischemia/reperfusion injury in rats. J Surg Res. 2010 Mar;159(1):588-94. | |||
| REF 6 | 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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