ibuprofen

Ligand id: 2713

Name: ibuprofen

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.3
Molecular weight 206.13
XLogP 5.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1974))
IUPAC Name
2-[4-(2-methylpropyl)phenyl]propanoic acid
International Nonproprietary Names
INN number INN
2118 ibuprofen
Synonyms
Advil® | Brufen® | ibuprofen lysine | ibuprofen sodium | Motrin® | Nurofen® | U-18573
Database Links
BindingDB Ligand 50009859
CAS Registry No. 15687-27-1 (source: ChEBI)
ChEBI CHEBI:5855
ChEMBL Ligand CHEMBL521
DrugBank Ligand DB01050
PubChem CID 3672
Search Google for chemical match using the InChIKey HEFNNWSXXWATRW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HEFNNWSXXWATRW
Search PubMed clinical trials ibuprofen
Search PubMed titles ibuprofen
Search PubMed titles/abstracts ibuprofen
Search UniChem for chemical match using the InChIKey HEFNNWSXXWATRW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HEFNNWSXXWATRW
Wikipedia Ibuprofen
Comments
Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID).

The approved drug is a racemic mixture of the (R)- and (S)-stereoisomers. The (S)-enantiomer is more active, and the (R)-enantiomer is converted in the body to the (S)-enantiomer. We show the non-isomeric molecule to represent the mixture.