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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15677
CHEMBL15677
Compound Name FENCLOFENAC
ChEMBL Synonyms RX-67408 | Fenclofenac | R-67408
Max Phase 0
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

Molecule Features

CHEMBL15677 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL15677

Alternate Forms of Compound in ChEMBL


CHEMBL15677

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
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.999
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.990
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.967
CHEMBL222 Norepinephrine transporter Homo sapiens 0.931
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 0.859
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.680



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
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.999
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.997
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.994
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.989
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 0.987
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.987
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.927
CHEMBL222 Norepinephrine transporter Homo sapiens 0.921
CHEMBL238 Dopamine transporter Homo sapiens 0.792
CHEMBL1900 Aldose reductase Homo sapiens 0.769
CHEMBL4422 Free fatty acid receptor 1 Homo sapiens 0.580
CHEMBL3933 Prostanoid DP receptor Mus musculus 0.267
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.266
CHEMBL228 Serotonin transporter Homo sapiens 0.262

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

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
FDA SRS Y01JW64D01
IBM Patent System F1BE23D300C3DDD033C81AC254E21771
IBM Patents WO2010033249A2 US20060154906 US20040071767 WO2009086504A2 WO2005069735A2 US20050147664 EP2178493A2 US6589948 WO2010097334A1 US7795310 WO1997009973A2 EP1239870A1 WO2001083546A1 US20070238723 US5227399 EP1615890A1 EP1435946A2 WO2006131784A1 US20100222366 WO2001074853A2 US5281720 EP0496434A2 WO2008017903A1 WO1999026922A1 US20090098575 US20070155742 WO2000035433A2 US5869470 WO2005055983A2 US20090060989 WO2009111607A1 EP1625150B9 WO2008128191A2 WO2008086395A2 EP0788497B1 EP1470107A2 WO1995005166A1 WO2005027851A2 US20020132224 US7435830 US20060067905 EP2125055A2 US20100267743 WO2000059502A1 WO2007071443A1 EP1872390A2 WO2006115918A3 WO2005110478A2 WO2004072296A2 WO2005044234A2 US20090291111 WO2001021259A2 EP0343643A2 WO2007070983A1 US20100099851 US20100055055 WO2009146537A1 EP1035828B1 WO2004058164A2 US20030018022 WO2005023799A1 US5360815 US20020098999 US20100317630 US5124347 EP0147741A2 US20080057590 WO2009051992A1 US6673755 WO2006083328A2 WO2005016184A1 US6537527 EP1812017A2 EP1833454A1 WO2007002667A2 WO2004092215A2 EP1663184A2 EP0983049B2 US20100291175 US5270319 US6900198 WO2004041777A2 US6191171 US20020142998 EP1796660A2 US20100233185 US20100330155 US20080131398 US20090048308 US20060264912 WO2000059498A1 WO1999012552A1 WO2005023816A2 EP1814587A2 WO2008117018A2 EP1255837A2 EP1635806A2 US20050239828 US20050043330 EP2088154A1
Nikkaji J19.453K
PubChem 65394
PubChem: Thomson Pharma 14922748
SureChEMBL SCHEMBL25161

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