CHEBI:10100 - zafirlukast

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ChEBI Name zafirlukast
ChEBI ID CHEBI:10100
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C31H33N3O6S
Net Charge 0
Average Mass 575.677
Monoisotopic Mass 575.209
InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKey YEEZWCHGZNKEEK-UHFFFAOYSA-N
SMILES C1=CC=2N(C=C(C2C=C1NC(OC3CCCC3)=O)CC4=CC=C(C(NS(C5=CC=CC=C5C)(=O)=O)=O)C=C4OC)C
Roles Classification
Biological Role(s): leukotriene antagonist
A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
Application(s): leukotriene antagonist
A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
anti-asthmatic agent
Any compound that has anti-asthmatic effects.
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ChEBI Ontology
Outgoing zafirlukast (CHEBI:10100) has role anti-asthmatic agent (CHEBI:65023)
zafirlukast (CHEBI:10100) has role leukotriene antagonist (CHEBI:49159)
zafirlukast (CHEBI:10100) is a N-sulfonylcarboxamide (CHEBI:90852)
zafirlukast (CHEBI:10100) is a carbamate ester (CHEBI:23003)
zafirlukast (CHEBI:10100) is a indoles (CHEBI:24828)
IUPAC Name
cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate
INN Source
zafirlukast ChemIDplus
Synonyms Sources
4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide ChEBI
cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate ChemIDplus
Brand Name Source
Accolate KEGG DRUG
Manual Xrefs Databases
2855 DrugCentral
C07206 KEGG COMPOUND
D00411 KEGG DRUG
DB00549 DrugBank
HMDB0014689 HMDB
LSM-5792 LINCS
Zafirlukast Wikipedia
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Registry Numbers Types Sources
107753-78-6 CAS Registry Number ChemIDplus
3641829 Reaxys Registry Number Reaxys
3641829 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
11888331 PubMed citation Europe PMC
19331987 PubMed citation Europe PMC
22159431 PubMed citation Europe PMC
22614107 PubMed citation Europe PMC
24258705 PubMed citation Europe PMC
25798389 PubMed citation Europe PMC
25834030 PubMed citation Europe PMC
Last Modified
22 February 2017