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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15677
CHEMBL15677
Compound Name FENCLOFENAC
ChEMBL Synonyms R 67408 | FENCLOFENAC | RX 67408
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C14H10Cl2O3

Additional synonyms for CHEMBL15677 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)Cc1ccccc1Oc2ccc(Cl)cc2Cl
Standard InChI InChI=1S/C14H10Cl2O3/c15-10-5-6-13(11(16)8-10)19-12-4-2-1-3- ...
Download InChI
Standard InChI Key IDKAXRLETRCXKS-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL15677

Molecule Features

CHEMBL15677 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First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1984
Country United Kingdom
Reason Cutaneous Reactions; Animal Carcinogenicity

Clinical Data

ClinicalTrials.gov FENCLOFENAC
The Cochrane Collaboration FENCLOFENAC

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 CHEMBL15677. 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
CHEMBL5071 G protein-coupled receptor 44 Homo sapiens 1.000
CHEMBL4427 Prostanoid DP receptor Homo sapiens 1.000
CHEMBL4150 Enoyl-acyl-carrier protein reductase Plasmodium falciparum 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL6120 Solute carrier family 22 member 12 Homo sapiens 0.999
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.994
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.992
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.982
CHEMBL222 Norepinephrine transporter Homo sapiens 0.946
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 0.906
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.835
CHEMBL4017 Sodium channel protein type X alpha subunit Rattus norvegicus 0.796
CHEMBL3338 Squalene synthetase Homo sapiens 0.449
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.346
CHEMBL3933 Prostanoid DP receptor Mus musculus 0.297
CHEMBL4093 LXR-beta Homo sapiens 0.264



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5071 G protein-coupled receptor 44 Homo sapiens 1.000
CHEMBL4150 Enoyl-acyl-carrier protein reductase Plasmodium falciparum 1.000
CHEMBL4427 Prostanoid DP receptor Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL2176859 Enoyl-[acyl-carrier-protein] reductase [NADPH] Staphylococcus aureus 0.999
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.998
CHEMBL6120 Solute carrier family 22 member 12 Homo sapiens 0.997
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.996
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.995
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.995
CHEMBL3194 Transthyretin Homo sapiens 0.994
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 0.988
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.914
CHEMBL222 Norepinephrine transporter Homo sapiens 0.902
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.822
CHEMBL1900 Aldose reductase Homo sapiens 0.784
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.720
CHEMBL2808 LXR-alpha Homo sapiens 0.717
CHEMBL238 Dopamine transporter Homo sapiens 0.657
CHEMBL4422 Free fatty acid receptor 1 Homo sapiens 0.537

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
297.1 296.0007 4.38 4 46.53 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.09 - 4.59 1.41 2 19 0.91

Structural Alerts

There are no structural alerts for CHEMBL15677

Compound Cross References

ChemSpider ChemSpider:IDKAXRLETRCXKS-UHFFFAOYSA-N
PubChem SID: 144206863
Wikipedia Fenclofenac

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15677



ACToR 34645-84-6
Brenda 108955
ChEBI 135254
DrugCentral 1147
EPA CompTox Dashboard DTXSID6048830
FDA SRS Y01JW64D01
IBM Patent System F1BE23D300C3DDD033C81AC254E21771
Nikkaji J19.453K
PubChem 65394
PubChem: Thomson Pharma 14922748
SureChEMBL SCHEMBL25161
ZINC ZINC000000001428

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