suprofen   

GtoPdb Ligand ID: 7298

Synonyms: Profenal® | R-25061
suprofen is an approved drug (FDA (no history prior to 1988))
Compound class: Synthetic organic
Comment: Suprofen is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic activity.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 82.61
Molecular weight 260.05
XLogP 2.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C
Isomeric SMILES OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C
InChI InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
InChI Key MDKGKXOCJGEUJW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (no history prior to 1988))
Withdrawn drug? Yes
IUPAC Name
2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
International Nonproprietary Names
INN number INN
3586 suprofen
Synonyms
Profenal® | R-25061
Database Links
CAS Registry No. 40828-46-4
ChEMBL Ligand CHEMBL956
DrugBank Ligand DB00870
DrugCentral Ligand 2546
GtoPdb PubChem SID 178103871
PubChem CID 5359
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Wikipedia Suprofen