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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1034
CHEMBL1034
Compound Name DICLOFENAC SODIUM
ChEMBL Synonyms ARTHROTEC 75 | DEFANAC | DEFANAC RETARD | DICLOVOL RET | DICLOZIP 25 | ENSTAR SR | FENACTOL | GP 45840 | ISCLOFEN | LOFENSAID 25 | LOFENSAID RET 75 | MOBIGEL PAINEZE | VOLTAROL GEL PATCH | VOLTAROL OPHTHA | CLOSTERIL 100 | DICLOFENAC SOD | DICLOMAX SR | ECONAC | FLAMATAK MR | VALDIC 75 RET | VOLTAREN-XR | VOLTARENE L.P. | DEXOMON SR | DICLOVOL SR | DICLOZIP 50 | RHEUMATAC RET 75 | RHUMALGAN | RHUMALGAN CR 100 | VALDIC 100 RET | VALENAC | VOLTAROL RET | VOLTAROL SR | ARTHRONAC | DEXOMON RET | DICLOFLEX | DICLOTARD 75 MR | FLAMRASE SR | RHUMALGAN SR | VOLSAID RET 100 | VOLSAID RET 75 | VOLTAREN EMULGEL | VOLTAROL | VOLTAROL PAIN-EZE EMULGEL | DICLOFENAC SODIUM | ECONAC SR | PENNSAID | RHUMALGAN XL | SOLARAZE | VOLRAMAN | VOLTAROL 12 HOUR EMULGEL P | ACOFLAM | ACOFLAM SR | DICLOFLEX SR | DICLOMAX RET | DICLOVOL | DIFENOR XL | DIGENAC XL 100 | DYLOJECT | ENSTAR XL | FENACTOL RET | FENACTOL SR | FLAMRASE | LOFENSAID 50 | LOFENSAID RET 100 | MISOFEN | RHUMALGAN CR 75 | SLOFENAC | VOLTAREN | VOLTAREN RET | VOLTARENE | VOLTARENE RET | VOLTAROL ACTIVE | VOLTAROL EMULGEL | DEFANAC SR | ECONAC XL | MASIDEMEN | MOBIGEL | MOTIFENE | VOLTARENE EMULGEL | VOLTAROL EMULGEL P | ACOFLAM RET | DICLOFLEX RET | DICLOTARD 100 MR | ENZED | FLEXOTARD MR | ARTHROTEC 50
Max Phase 4 (Approved)
Trade Names ACOFLAM | ACOFLAM RET | ACOFLAM SR | ARTHRONAC | ARTHROTEC 50 | ARTHROTEC 75 | CLOSTERIL 100 | DEFANAC | DEFANAC RETARD | DEFANAC SR | DEXOMON RET | DEXOMON SR | DICLOFENAC SODIUM | DICLOFLEX | DICLOFLEX RET | DICLOFLEX SR | DICLOMAX RET | DICLOMAX SR | DICLOTARD 100 MR | DICLOTARD 75 MR | DICLOVOL | DICLOVOL RET | DICLOVOL SR | DICLOZIP 25 | DICLOZIP 50 | DIFENOR XL | DIGENAC XL 100 | DYLOJECT | ECONAC | ECONAC SR | ECONAC XL | ENSTAR SR | ENSTAR XL | ENZED | FENACTOL | FENACTOL RET | FENACTOL SR | FLAMATAK MR | FLAMRASE | FLAMRASE SR | FLEXOTARD MR | ISCLOFEN | LOFENSAID 25 | LOFENSAID 50 | LOFENSAID RET 100 | LOFENSAID RET 75 | MASIDEMEN | MISOFEN | MOBIGEL | MOBIGEL PAINEZE | MOTIFENE | PENNSAID | RHEUMATAC RET 75 | RHUMALGAN | RHUMALGAN CR 100 | RHUMALGAN CR 75 | RHUMALGAN SR | RHUMALGAN XL | SLOFENAC | SOLARAZE | VALDIC 100 RET | VALDIC 75 RET | VALENAC | VOLRAMAN | VOLSAID RET 100 | VOLSAID RET 75 | VOLTAREN | VOLTAREN EMULGEL | VOLTAREN RET | VOLTAREN-XR | VOLTARENE | VOLTARENE EMULGEL | VOLTARENE L.P. | VOLTARENE RET | VOLTAROL | VOLTAROL 12 HOUR EMULGEL P | VOLTAROL ACTIVE | VOLTAROL EMULGEL | VOLTAROL EMULGEL P | VOLTAROL GEL PATCH | VOLTAROL OPHTHA | VOLTAROL PAIN-EZE EMULGEL | VOLTAROL RET | VOLTAROL SR
Molecular Formula C14H10Cl2NNaO2

Additional synonyms for CHEMBL1034 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]C(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
Standard InChI InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2- ...
Download InChI
Standard InChI Key KPHWPUGNDIVLNH-UHFFFAOYSA-M

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • HeCaToS Compounds
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1034

Molecule Features

CHEMBL1034 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cyclooxygenase inhibitor Cyclooxygenase PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis4ClinicalTrials
DailyMed
ClinicalTrials
Keratosis, ActinicD055623EFO:0002496actinic keratosis3ClinicalTrials
SunburnD013471EFO:0003958sunburn3ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis4ClinicalTrials
DailyMed
ClinicalTrials
Skin NeoplasmsD012878EFO:0004198skin neoplasm2ClinicalTrials
GoutD006073EFO:0004274gout2ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials
DailyMed
DailyMed
DailyMed
DailyMed
ClinicalTrials
ClinicalTrials
AnemiaD000740EFO:0004272anemia3ClinicalTrials
InflammationD007249MP:0001845inflammation1ClinicalTrials
Muscular DiseasesD009135EFO:0002970muscular disease3ClinicalTrials
Osteoarthritis, KneeD020370EFO:0004616osteoarthritis, knee3ClinicalTrials
ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury2ClinicalTrials

Clinical Data

ClinicalTrials.gov DICLOFENAC SODIUM
The Cochrane Collaboration DICLOFENAC SODIUM

Metabolites for CHEMBL1034

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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 CHEMBL1034. 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
CHEMBL2949 Cyclooxygenase-1 Ovis aries 1.000
CHEMBL5071 G protein-coupled receptor 44 Homo sapiens 0.991
CHEMBL4321 Cyclooxygenase-2 Mus musculus 0.963
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.896
CHEMBL2434 Interleukin-8 receptor B Homo sapiens 0.555
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.545
CHEMBL278 Integrin alpha-4 Homo sapiens 0.294



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5071 G protein-coupled receptor 44 Homo sapiens 0.993
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.981
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.975
CHEMBL4321 Cyclooxygenase-2 Mus musculus 0.950
CHEMBL3194 Transthyretin Homo sapiens 0.949
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.824
CHEMBL5847 Aldo-keto reductase family 1 member C2 Homo sapiens 0.733
CHEMBL278 Integrin alpha-4 Homo sapiens 0.606
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.525
CHEMBL2434 Interleukin-8 receptor B Homo sapiens 0.417

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
296.2 295.0167 4.36 4 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
4.18 - 4.55 1.44 2 19 0.88

Structural Alerts

There are no structural alerts for CHEMBL1034

Compound Cross References

ChemSpider ChemSpider:KPHWPUGNDIVLNH-UHFFFAOYSA-M
DailyMed diclofenac sodium
PubChem SID: 11111091 SID: 11112998 SID: 144204321 SID: 144210585 SID: 170464642 SID: 26747983 SID: 50106220 SID: 56422389 SID: 85231008 SID: 855544 SID: 90341049

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1034



ACToR 15307-79-6
Brenda 14659
ChEBI 4509
ChemicalBook CB5474464
eMolecules 851332 537557
EPA CompTox Dashboard DTXSID3037208
FDA SRS QTG126297Q
Mcule MCULE-3279769301
MolPort MolPort-000-699-119
NIH Clinical Collection SAM001247057
Nikkaji J8.556A
PubChem 5018304
PubChem: Thomson Pharma 14752556
Selleck Diclofenac-sodium
SureChEMBL SCHEMBL24009

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