zileuton

Ligand id: 5297

Name: zileuton

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 94.8
Molecular weight 236.06
XLogP 1.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name
1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
International Nonproprietary Names
INN number INN
6595 zileuton
Synonyms
A-64077 | ZYFLO®
Database Links
CAS Registry No. 111406-87-2
ChEBI CHEBI:10112
ChEMBL Ligand CHEMBL93
DrugBank Ligand DB00744
PubChem CID 60490
Search Google for chemical match using the InChIKey MWLSOWXNZPKENC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MWLSOWXNZPKENC
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Search UniChem for chemical match using the InChIKey MWLSOWXNZPKENC-UHFFFAOYSA-N
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Wikipedia Zileuton
Comments
Zileuton is an orally active 5-LOX inhibitor.
The approved drug is a racemic mixture of R(+) and S(-) enantiomers (PubChem CID 10681296 and CID 10220327 respectively), which are both pharmacologically active. The structure shown here does not specify stereochemistry and represents the mixture.