ZAFIRLUKAST

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Search structure


Trade Names	ACCOLATE ZAFIRLUKAST
Synonyms	Accolate ICI 204,219 ICI-204219 Ici-204,219 Zafirlukast
Status
Molecule Category	Free-form
ATC	R03DC01
UNII	XZ629S5L50
EPA CompTox	DTXSID5023746

Structure


InChI Key	YEEZWCHGZNKEEK-UHFFFAOYSA-N
Smiles	COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
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)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C31H33N3O6S
Molecular Weight	575.69
AlogP	5.7
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	115.73
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	41.0

Pharmacology

Mechanism of Action	Action	Reference
Cysteinyl leukotriene receptor 1 antagonist	ANTAGONIST	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2	-	-	-	-	11
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4	-	-	-	-	43
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor	-	0.44-44	0.003981	0.3-2.3	-
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2	710	-	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters	-	-	-	-	52

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	0.44-44	0.3162	0.3-2.3	51.6-58.7
Homo sapiens	710	1-14	0.003981	-	11-52
Rattus norvegicus	-	66.2	-	-	-

Target Conservation


Protein: Cysteinyl leukotriene receptor 1 Description: Cysteinyl leukotriene receptor 1 Organism : Homo sapiens Q9Y271 ENSG00000173198

Cross References

Resources	Reference
CAS NUMBER	107753-78-6
ChEBI	10100
ChEMBL	CHEMBL603
DrugBank	DB00549
DrugCentral	2855
FDA SRS	XZ629S5L50
Human Metabolome Database	HMDB0014689
Guide to Pharmacology	3322
KEGG	C07206
PDB	ZLK
PharmGKB	PA451949
PubChem	5717
SureChEMBL	SCHEMBL4175
ZINC	ZINC000000896717

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 27^th July 2026