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®
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.
Database Links
CAS Registry No. 111406-87-2
ChEBI CHEBI:10112
ChEMBL Ligand CHEMBL93
DrugBank Ligand DB00744
GtoPdb PubChem SID 178101979
PubChem CID 60490
Search Google for chemical match using the InChIKey MWLSOWXNZPKENC-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey MWLSOWXNZPKENC-UHFFFAOYSA-N
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Wikipedia Zileuton

Product suppliers

Tocris
Zileuton
Cat. No. 3308