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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1297
CHEMBL1297
Compound Name FENOPROFEN
ChEMBL Synonyms NALFON | 53858 | Nalfon | 69323 | FENOPROFEN CALCIUM | PROGESIC | Fenoprofen Sodium | Fenoprofen
Max Phase 4 (Approved)
Trade Names FENOPROFEN CALCIUM | PROGESIC | NALFON
Molecular Formula C15H14O3

Additional synonyms for CHEMBL1297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C(=O)O)c1cccc(Oc2ccccc2)c1
Standard InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3 ...
Download InChI
Standard InChI Key RDJGLLICXDHJDY-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1297

Molecule Features

CHEMBL1297 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cyclooxygenase inhibitor Cyclooxygenase DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Rheumatic DiseasesD012216EFO:0005755rheumatic disease4ATC

Clinical Data

ClinicalTrials.gov FENOPROFEN
The Cochrane Collaboration FENOPROFEN

Metabolites for CHEMBL1297

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1297. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.998
CHEMBL2808 LXR-alpha Homo sapiens 0.998
CHEMBL3229 Anandamide amidohydrolase Rattus norvegicus 0.995
CHEMBL3338 Squalene synthetase Homo sapiens 0.994
CHEMBL4422 Free fatty acid receptor 1 Homo sapiens 0.982
CHEMBL4093 LXR-beta Homo sapiens 0.973
CHEMBL2331053 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 Homo sapiens 0.964
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.963
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.957
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.567
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.444
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.372
CHEMBL4618 Leukotriene A4 hydrolase Homo sapiens 0.272
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.270
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.201



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.999
CHEMBL3338 Squalene synthetase Homo sapiens 0.999
CHEMBL3229 Anandamide amidohydrolase Rattus norvegicus 0.999
CHEMBL2808 LXR-alpha Homo sapiens 0.997
CHEMBL4422 Free fatty acid receptor 1 Homo sapiens 0.984
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.981
CHEMBL2331053 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 Homo sapiens 0.974
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.964
CHEMBL4093 LXR-beta Homo sapiens 0.959
CHEMBL3028 Hypoxia-inducible factor prolyl hydroxylase 1 Homo sapiens 0.871
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.611
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.579
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.563
CHEMBL1163116 Cholesteryl ester transfer protein Oryctolagus cuniculus 0.472
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.444
CHEMBL4618 Leukotriene A4 hydrolase Homo sapiens 0.433
CHEMBL4117 Zinc aminopeptidase Plasmodium falciparum FcB1/Columbia 0.230
CHEMBL5440 Dehydrosqualene synthase Staphylococcus aureus 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
242.3 242.0943 3.67 4 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.2 - 3.72 .63 2 18 0.89

Structural Alerts

There are no structural alerts for CHEMBL1297

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE - Propionic acid derivatives
M01AE04 - fenoprofen

ChemSpider ChemSpider:RDJGLLICXDHJDY-UHFFFAOYSA-N
DailyMed fenoprofen calcium
Wikipedia Fenoprofen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1297



ACToR 31879-05-7 95907-05-4 29679-58-1
BindingDB 54705
Brenda 220249 35670
ChEBI 5004
DrugBank DB00573
DrugCentral 1154
eMolecules 901876
EPA CompTox Dashboard DTXSID9023045
Guide to Pharmacology 4820
Human Metabolome Database HMDB0014713
IBM Patent System 5FF27C8A4B64DA516895120993347C5E
KEGG Ligand C06997
LINCS LSM-6498
Mcule MCULE-2686503876
MolPort MolPort-003-666-345
Nikkaji J286.928D
PharmGKB PA449597
PubChem 3342
PubChem: Thomson Pharma 14970762
SureChEMBL SCHEMBL3797

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RDJGLLICXDHJDY-UHFFFAOYSA-N spacer
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