Compound Detail
CHEMBL3181947
BROMFENAC SODIUM 💊 Approved Drug
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💊 Approved Drug
Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.O.O.O.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3181947 |
| Name | BROMFENAC SODIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PPOSVVJOVKVBPW-UHFFFAOYSA-L |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1077 |
| Active Moiety | CHEMBL1077 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
11
Known Names
5
Indications
1
Mechanisms
Molecular Properties
334.2
MW (Da)
2.89
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1997 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase inhibitor | INHIBITOR | Cyclooxygenase | ✓ | ✓ |
Indications
Cataract Eye Pain Inflammation Ophthalmologic Surgical Procedures Pain, Postoperative
Drug Warnings
Withdrawn
drug misuse
Severe hepatitis and liver failure (some requiring transplantation); Hepatic Failure; Off-Label Abuse
Withdrawn
hepatotoxicity
Severe hepatitis and liver failure (some requiring transplantation); Hepatic Failure; Off-Label Abuse
Withdrawn
hepatotoxicity
Severe hepatitis and liver failure (some requiring transplantation); Hepatic Failure; Off-Label Abuse
Withdrawn
drug misuse
Severe hepatitis and liver failure (some requiring transplantation); Hepatic Failure; Off-Label Abuse
Withdrawn
hepatotoxicity
Severe hepatitis and liver failure (some requiring transplantation); Hepatic Failure; Off-Label Abuse
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2096674 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles. | 6436487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6436487 | 10.1021/jm00377a001 | Rattus norvegicus | 6 |
| 6436487 | 10.1021/jm00377a001 | Mus musculus | 3 |
| 6436487 | 10.1021/jm00377a001 | ADMET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 6436487 | 10.1021/jm00377a001 | Cyclooxygenase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine