Montelukast
type: Item
instance of: type of chemical entity
Freebase ID: /m/04_ftl
CAS Registry Number: 158966-92-8
PubChem CID: 5281040
chemical 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
ChEBI ID: 50730
ChEMBL ID: CHEMBL787
DrugBank ID: DB00471
ChemSpider ID: 4444507
UNII: MHM278SD3E
ATC code: R03DC03
Guide to Pharmacology Ligand ID: 3340
NDF-RT ID: N0000022122
medical condition treated: asthma
medical condition treated: seasonal allergic rhinitis
medical condition treated: rhinitis
medical condition treated: urticaria
medical condition treated: allergic rhinitis
Commons category: Montelukast
ECHA Substance Infocard ID: 100.115.927
KEGG ID: D08229
mass: 585.21
PDB structure ID: 2NNI
RxNorm CUI: 88249
UMLS CUI: C0298130
UMLS CUI: C0701315
DSSTox substance ID: DTXSID9023334
pregnancy category: Australian pregnancy category B1
pregnancy category: US pregnancy category B
PDB ligand ID: MTK
defined daily dose: 10
active ingredient in: Singulair
MeSH descriptor ID: C093875
subject has role: antiasthmatic
subject has role: leukotriene antagonists
subject has role: cytochrome P-450 CYP1A2 inducers
Reaxys registry number: 7896575
EC number: 605-168-4
physically interacts with: Cysteinyl leukotriene receptor 1
physically interacts with: G protein-coupled receptor 17
LiverTox ID: Montelukast
Microsoft Academic ID (discontinued): 2776322731
DSSTOX compound identifier: DTXCID403334
PatientsLikeMe treatment ID: montelukast
LiverTox likelihood score: LiverTox toxicity likelihood category B
HSDB ID: 7582
OpenAlex ID: C2776322731
YSO ID: 28171
MedlinePlus drug identifier: a600014
Probes And Drugs ID: PD010008
WikiProjectMed ID: Montelukast
has use: medication
subclass of: carbocyclic compound
UK Parliament thesaurus ID: 457173
DrugCentral ID: 1836
UniChem compound ID: 379278
legal status (medicine): boxed warning
stereoisomer of: 2-[1-[[[(1R)-1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetic acid
stereoisomer of: (S)-montelukast
stereoisomer of: cis-montelukast
Human Metabolome Database ID: HMDB0014614
SureChEMBL ID: 4486
label: montelukast
label: مونته لوکاست @fa
label: монтелукаст @ru
label: מונטלוקאסט @he
label: montélukast @fr
label: montelucas @ro
label: مونتيلوكاست @ar