Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL277522

FENBUFEN
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277522
Name FENBUFEN
Phase Phase II
Structure Type MOL
InChI Key ZPAKPRAICRBAOD-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Cinopal CL 82,204 CL-82204 Fenbufen Fenbufene Fenbuzip 300 Fenbuzip 450 Lederfen 450 Lederfen cp Lederfen f NSC-757812
4
Targets
7
Activities
3
Assay Types
2
PK Parameters
20
Publications
11
Known Names
1
Indications

Molecular Properties

254.3
MW (Da)
3.40
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -bufen
USAN Year 1973

Extended Properties

Molecular Formula C16H14O3
MW 254.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.26

Indications

Rheumatic Diseases

ATC Classification

M01AE05
fenbufen
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS

Activity Summary

Ki 3 meas. best 4.71
EC50 2 meas. best 5.0
IC50 2 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 1
CHEMBL2949
 IC50 5.41 5.41 3900.0 1
Prostaglandin G/H synthase 2
CHEMBL4102
 IC50 5.09 5.09 8100.0 1
Free fatty acid receptor 1
CHEMBL4422
 EC50 5.0 4.99 10000.0 2
Unchecked
CHEMBL612545
 Ki 4.71 4.705 19498.5 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 4.7 hr Homo sapiens
T1/2 0.06333 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 1 IC50 = 3900.0 nM 5.41 Inhibition of ovine COX1 by enzyme-immuno assay 19457595
Prostaglandin G/H synthase 2 IC50 = 8100.0 nM 5.09 Inhibition of ovine COX2 by enzyme-immuno assay 19457595
Free fatty acid receptor 1 EC50 = 10000.0 nM 5.0 Agonist activity at FFA1 (unknown origin) 36343410
Free fatty acid receptor 1 EC50 = 10379.0 nM 4.98 Agonist activity at human FFA1 stably expressed in CHO cells assessed as intrace... 36343410
Unchecked Ki = 19498.45 nM 4.71 Displacement of [3H]NCS-382 from GABAB receptor in rat brain homogenate 19053823
Unchecked Ki = 20000.0 nM 4.7 Displacement of [3H]NCS-382 from GABAB receptor in rat brain homogenate 19053823

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
29133041 10.1016/j.ejmech.2017.10.045 Staphylococcus aureus 6
20869876 10.1016/j.bmc.2010.08.052 Albumin 4
36343410 10.1016/j.ejmech.2022.114883 Free fatty acid receptor 1 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
19457595 10.1016/j.ejmech.2009.04.009 Mus musculus 2
19457595 10.1016/j.ejmech.2009.04.009 Unchecked 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
3820215 10.1021/jm00386a001 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Type-1 angiotensin II receptor 2
21315586 10.1016/j.bmcl.2011.01.068 NON-PROTEIN TARGET 2
19053823 10.1021/jm801112u Unchecked 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
33369426 10.1021/acs.jmedchem.0c01762 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2

Data from ChEMBL 36 via Core Engine