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Compound Detail

CHEMBL1077

BROMFENAC
💊 Approved Drug
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💊 Approved Drug
Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1077
Name BROMFENAC
Phase Approved
Structure Type MOL
InChI Key ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Bromfenac Bromfenaco ISV-303
2
Targets
2
Activities
1
Assay Types
9
PK Parameters
20
Publications
3
Known Names
8
Indications

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

Routes of Administration

Topical

Flags

Withdrawn Natural Product
USAN Stem -ac
USAN Year 1986

Extended Properties

Molecular Formula C15H12BrNO3
MW 334.17
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.41

Indications

Eye Diseases Cataract Conjunctivitis, Allergic Dry Eye Syndromes Inflammation Macular Edema Macular Degeneration Presbyopia

ATC Classification

S01BC11
bromfenac
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

IC50 2 meas. best 8.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 8.32 8.32 4.8 1
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 8.07 8.07 8.5 1

Pharmacokinetic Data

Parameter Value Units Species
CL 1.3 mL.min-1.kg-1 Homo sapiens
CL 1.3 mL.min-1.kg-1 Homo sapiens
CL 1.3 mL.min-1.kg-1 Homo sapiens
CL 1.3 mL.min-1.kg-1 Homo sapiens
F 79.0 % Homo sapiens
Fu 0.11 - Homo sapiens
Fu 0.0011 - Homo sapiens
MRT 1.5 hr Homo sapiens
T1/2 2.6 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 2 IC50 = 4.803 nM 8.32 DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) -
Prostaglandin G/H synthase 1 IC50 = 8.481 nM 8.07 DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 270
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
20070106 10.1021/jm901371v Homo sapiens 8
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
- 10.6019/CHEMBL5303304 U2OS 8
34547896 10.1021/acs.jmedchem.1c00823 Transthyretin 4
18426954 10.1124/dmd.108.020479 ADMET 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
- 10.6019/CHEMBL5303304 HEK-293T 3
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
10891117 10.1021/jm0000564 No relevant target 2
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 2
22931300 10.1021/tx300075j Cytochrome P450 3A4 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
19445515 10.1021/jm900403j Homo sapiens 2
10891117 10.1021/jm0000564 ADMET 2

Data from ChEMBL 36 via Core Engine