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Compound Detail

CHEMBL1034

DICLOFENAC SODIUM
💊 Approved Drug
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💊 Approved Drug
O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1034
Name DICLOFENAC SODIUM
Phase Approved
Structure Type MOL
InChI Key KPHWPUGNDIVLNH-UHFFFAOYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL139
Active Moiety CHEMBL139

Known Names

Abitren Acoflam Acoflam ret Acoflam sr Arthronac Arthrotec 50 Arthrotec 75 Benfofen Closteril 100 Dealgic Defanac Defanac retard +18 more
8
Targets
38
Activities
3
Assay Types
30
PK Parameters
20
Publications
30
Known Names
20
Indications
1
Mechanisms

Molecular Properties

296.1
MW (Da)
4.36
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1988
Availability OTC
Chirality Achiral

Routes of Administration

Oral Parenteral Topical

Flags

Black Box Warning Natural Product
USAN Stem -ac
USAN Year 1973

Extended Properties

Molecular Formula C14H10Cl2NNaO2
MW 318.14
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.87

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cyclooxygenase inhibitor INHIBITOR Cyclooxygenase ✓ ✓

Indications

Arthritis, Rheumatoid Duodenal Ulcer Hemorrhage Osteoarthritis Pain Anemia Keratosis, Actinic Low Back Pain Muscular Diseases Osteoarthritis, Knee Radiculopathy Sciatica Sprains and Strains Sunburn Toothache Urinary Bladder Neoplasms Chronic Pain Gout Otitis Externa Inflammation

Drug Warnings

Black Box Warning
gastrointestinal toxicity
Country: United States
Black Box Warning
neurotoxicity
Country: United States
Black Box Warning
cardiotoxicity
Country: United States
Black Box Warning
musculoskeletal toxicity
Country: United States

Activity Summary

IC50 36 meas. best 8.89
EC50 1 meas. best 5.08
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 8.89 6.4388 1.3 8
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 8.52 8.46 3.0 2
Prostaglandin G/H synthase 1
CHEMBL2949
 IC50 6.8 5.797 160.0 10
Prostaglandin G/H synthase 2
CHEMBL4102
 IC50 5.6 5.4967 2500.0 3
Aldo-keto reductase family 1 member C3
CHEMBL4681
 IC50 5.58 5.58 2600.0 1
No relevant target
CHEMBL2362975
 IC50 5.38 5.38 4140.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.08 5.08 8300.0 1
RAW264.7
CHEMBL612557
 IC50 4.99 4.764 10270.0 5

Pharmacokinetic Data

Parameter Value Units Species
AUC 100.0 % -
AUC 100.0 % -
AUC 1670.0 ng.hr.mL-1 Homo sapiens
AUC 3290.0 ng.hr.mL-1 Homo sapiens
AUC 6.05 nmol/g.hr Homo sapiens
AUC 6.05 nmol/g.hr Homo sapiens
AUC 2.43 nmol/g.hr Homo sapiens
AUC 2.43 nmol/g.hr Homo sapiens
AUC 0.58 nmol/g.hr Homo sapiens
AUC 0.58 nmol/g.hr Homo sapiens
AUC 1.71 nmol/g.hr Homo sapiens
AUC 1.71 nmol/g.hr Homo sapiens
AUC 1.46 nmol/g.hr Homo sapiens
AUC 1.46 nmol/g.hr Homo sapiens
AUC 35.22 nmol/g.hr Homo sapiens
AUC 61.82 nmol/g.hr Homo sapiens
AUC 46.09 nmol/g.hr Homo sapiens
CL 6.48 mL.min-1.kg-1 Homo sapiens
CL 3.5 mL.min-1.kg-1 Homo sapiens
CL 94.44 mL.min-1.kg-1 Rattus norvegicus
CL 0.85 mL.min-1.kg-1 Rattus norvegicus
CL 8.4 mL.min-1.kg-1 Homo sapiens
CL 0.042 mL.min-1.kg-1 Homo sapiens
CL 263.0 ml/min Homo sapiens
Cmax 26338.0 nM Homo sapiens
Cmax 6753.33 nM Homo sapiens
Cmax 9.73 nmol/g Homo sapiens
Cmax 1.19 nmol/g Homo sapiens
Cmax 0.45 nmol/g Homo sapiens
Cmax 0.36 nmol/g Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 2 IC50 = 1.3 nM 8.89 Inhibition of human recombinant COX-2 transfected in CHO cells assessed as inhib... 37148849
Prostaglandin G/H synthase 1 IC50 = 3.0 nM 8.52 Inhibition of COX-1 (unknown origin) -
Prostaglandin G/H synthase 1 IC50 = 4.0 nM 8.4 Inhibition of human recombinant COX-1 transfected in CHO cells assessed as inhib... 37148849
Prostaglandin G/H synthase 1 IC50 = 160.0 nM 6.8 Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins... 21570309
Prostaglandin G/H synthase 1 IC50 = 220.0 nM 6.66 Inhibition of ovine COX1 by enzyme immuno assay 22516672
Prostaglandin G/H synthase 1 IC50 = 250.0 nM 6.6 Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immun... 23528298
Prostaglandin G/H synthase 2 IC50 = 800.0 nM 6.1 Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha producti... 29289887
Prostaglandin G/H synthase 2 IC50 = 800.0 nM 6.1 Inhibition of human recombinant COX2 catalytic activity using arachidonic acid a... 30818268
Prostaglandin G/H synthase 2 IC50 = 800.0 nM 6.1 Inhibition of human recombinant COX2 by colorimetric analysis 32485532
Prostaglandin G/H synthase 2 IC50 = 840.0 nM 6.08 Inhibition of human recombinant COX-2 by EIA method 31539778
Prostaglandin G/H synthase 2 IC50 = 840.0 nM 6.08 Inhibition of human recombinant COX2 using arachidonic acid as substrate preincu... 32127262
Prostaglandin G/H synthase 2 IC50 = 840.0 nM 6.08 Inhibition of human recombinant COX-2 using arachidonic acid as substrate preinc... 33892270
Prostaglandin G/H synthase 2 IC50 = 840.0 nM 6.08 Inhibition of human COX-2 by colorimetric assay 38219658
Prostaglandin G/H synthase 2 IC50 = 2500.0 nM 5.6 Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins... 21570309
Aldo-keto reductase family 1 member C3 IC50 = 2600.0 nM 5.58 Inhibition of recombinant human AKR1C3 16183274
Prostaglandin G/H synthase 2 IC50 = 3100.0 nM 5.51 Inhibition of ovine COX2 by enzyme immuno assay 22516672
Prostaglandin G/H synthase 1 IC50 = 3800.0 nM 5.42 Inhibition of ovine COX-1 by EIA method 31539778
Prostaglandin G/H synthase 1 IC50 = 3800.0 nM 5.42 Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10... 32127262
Prostaglandin G/H synthase 1 IC50 = 3800.0 nM 5.42 Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated with ... 33892270
Prostaglandin G/H synthase 1 IC50 = 3800.0 nM 5.42 Inhibition of ovine COX-1 by colorimetric assay 38219658

Literature References

PubMed DOI Target Context # Activities
3245235 10.3109/00498258809042267 Homo sapiens 33
26833243 10.1016/j.bmc.2016.01.026 Candida albicans 24
527637 10.1007/bf00568201 Homo sapiens 22
26833243 10.1016/j.bmc.2016.01.026 Meyerozyma guilliermondii 18
19481936 10.1016/j.bmcl.2009.05.044 Rattus norvegicus 17
- 10.1007/s00044-012-0037-7 Rattus norvegicus 17
527637 10.1007/bf00568201 Plasma 16
- 10.1007/s00044-013-0468-9 Rattus norvegicus 15
38237343 10.1016/j.ejmech.2024.116137 Rattus norvegicus 15
26833243 10.1016/j.bmc.2016.01.026 Nakaseomyces glabratus 12
20926620 10.1124/dmd.110.035600 HEK293 11
19084415 10.1016/j.bmc.2008.11.035 Rattus norvegicus 11
23376247 10.1016/j.ejmech.2012.12.003 Rattus norvegicus 10
20444529 10.1016/j.ejmech.2010.04.005 Rattus norvegicus 9
28427813 10.1016/j.bmcl.2017.04.020 Rattus norvegicus 9
21250699 10.1021/jm101095e No relevant target 9
- 10.1007/s00044-008-9098-z Rattus norvegicus 9
25740159 10.1016/j.bmcl.2015.02.013 No relevant target 9
22835720 10.1016/j.ejmech.2012.07.007 Rattus norvegicus 8
- 10.1007/s00044-010-9545-5 Rattus norvegicus 8

Data from ChEMBL 36 via Core Engine