febuxostat

Ligand id: 6817

Name: febuxostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 111.45
Molecular weight 316.09
XLogP 2.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2009), EMA (2009))
IUPAC Name
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
International Nonproprietary Names
INN number INN
8140 febuxostat
Synonyms
Adenuric® | MX-67 | Tei 6720 | Tei-6720 | TMX 67 | Uloric®
Database Links
CAS Registry No. 144060-53-7
ChEMBL Ligand CHEMBL1164729
DrugBank Ligand DB03786
PubChem CID 134018
RCSB PDB Ligand TEI
Search Google for chemical match using the InChIKey BQSJTQLCZDPROO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BQSJTQLCZDPROO
Search PubMed clinical trials febuxostat
Search PubMed titles febuxostat
Search PubMed titles/abstracts febuxostat
Search UniChem for chemical match using the InChIKey BQSJTQLCZDPROO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BQSJTQLCZDPROO
Wikipedia Febuxostat
Comments
Inhibits xanthine dehydrogenase