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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL23588
CHEMBL23588
Compound Name FLUFENAMIC ACID
ChEMBL Synonyms FLUFENAMIC ACID | INF-1837 | CN-27,554 | CI 440 | MERALEN | ARLEF
Max Phase 4 (Approved)
Trade Names MERALEN | ARLEF
Molecular Formula C14H10F3NO2

Additional synonyms for CHEMBL23588 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
Standard InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1 ...
Download InChI
Standard InChI Key LPEPZBJOKDYZAD-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL23588

Molecule Features

CHEMBL23588 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Influenza, HumanD007251EFO:0001669influenza infection2ClinicalTrials
Rheumatic DiseasesD012216EFO:0005755rheumatic disease4ATC

Clinical Data

ClinicalTrials.gov FLUFENAMIC ACID
The Cochrane Collaboration FLUFENAMIC ACID

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 CHEMBL23588. 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
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 1.000
CHEMBL5847 Aldo-keto reductase family 1 member C2 Homo sapiens 1.000
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.996
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 0.896
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.737
CHEMBL4017 Sodium channel protein type X alpha subunit Rattus norvegicus 0.716
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.430
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 0.365
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.238



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5847 Aldo-keto reductase family 1 member C2 Homo sapiens 1.000
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 1.000
CHEMBL1293316 Relaxin receptor 1 Homo sapiens 1.000
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.994
CHEMBL5905 Aldo-keto reductase family 1 member C1 Homo sapiens 0.973
CHEMBL4017 Sodium channel protein type X alpha subunit Rattus norvegicus 0.924
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 0.872
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.714
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.654
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 0.593
CHEMBL3194 Transthyretin Homo sapiens 0.350
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.341
CHEMBL2695 Focal adhesion kinase 1 Homo sapiens 0.285
CHEMBL5658 Prostaglandin E synthase Homo sapiens 0.265
CHEMBL260 MAP kinase p38 alpha Homo sapiens 0.248

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
281.2 281.0664 4.15 3 49.33 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.67 - 5.22 2.17 2 20 0.89

Structural Alerts

There are no structural alerts for CHEMBL23588

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AG - Fenamates
M01AG03 - flufenamic acid

ChemSpider ChemSpider:LPEPZBJOKDYZAD-UHFFFAOYSA-N
PubChem SID: 104171306 SID: 11112395 SID: 124882329 SID: 144204003 SID: 144212428 SID: 170465857 SID: 26747013 SID: 26751533 SID: 26751535 SID: 56422408 SID: 855855
Wikipedia Flufenamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL23588



ACToR 530-78-9
Atlas flufenamic acid
BindingDB 17636
Brenda 2022
ChEBI 42638
ChemicalBook CB7118092
DrugBank DB02266
DrugCentral 1193
eMolecules 538514
EPA CompTox Dashboard DTXSID7023063
FDA SRS 60GCX7Y6BH
Guide to Pharmacology 2447
IBM Patent System 9A957ADF14E5B15A3CAE66B6D4845B0C
KEGG Ligand C13038
LINCS LSM-2973
Mcule MCULE-8606118307
MolPort MolPort-000-421-382
Nikkaji J2.064H
PDBe FLF
PharmGKB PA166049190
PubChem 3371
PubChem: Thomson Pharma 14775310
SureChEMBL SCHEMBL17497
ZINC ZINC000000086535

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