ZILEUTON

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Search structure


Trade Names	ZILEUTON ZYFLO ZYFLO CR
Synonyms	A-64077 ABBOTT-64077 NSC-730712 NSC-759277 Zileuton Zyflo Zyflo cr
Status
Molecule Category	Free-form
UNII	V1L22WVE2S
EPA CompTox	DTXSID9023752

Structure


InChI Key	MWLSOWXNZPKENC-UHFFFAOYSA-N
Smiles	CC(c1cc2ccccc2s1)N(O)C(N)=O
InChI	InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H12N2O2S
Molecular Weight	236.3
AlogP	2.73
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	66.56
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	16.0

Pharmacology

Mechanism of Action	Action	Reference
Arachidonate 5-lipoxygenase inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Isomerase	-	600	-	-	50
Enzyme Oxidoreductase	470	100-910	-	-	0-100
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family	-	850	-	-	-
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family	-	591	-	-	-
Enzyme	470	100-910	-	-	0-100
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor	-	420	-	-	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor	-	-	-	-	82
Other cytosolic protein	-	580	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Canis lupus familiaris	-	840	-	-	25-96
Cavia porcellus	-	-	-	-	82-100
Glycine max	-	38.91-300	-	-	-
Homo sapiens	-	2-910	-	-	1-100
Mus musculus	-	190-550	-	-	13-40
Rattus norvegicus	-	10-830	-	-	46-86.9

Target Conservation


Protein: Arachidonate 5-lipoxygenase Description: Polyunsaturated fatty acid 5-lipoxygenase Organism : Homo sapiens P09917 ENSG00000012779

Cross References

Resources	Reference
CAS NUMBER	111406-87-2
ChEBI	10112
ChEMBL	CHEMBL93
DrugBank	DB00744
DrugCentral	2862
FDA SRS	V1L22WVE2S
Human Metabolome Database	HMDB0014882
Guide to Pharmacology	5297
PharmGKB	PA451955
PubChem	60490
SureChEMBL	SCHEMBL4209
ZINC	ZINC00896731

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, 23^rd March 2026