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Compound Detail

CHEMBL981

FENOFIBRIC ACID
💊 Approved Drug
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💊 Approved Drug
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL981
Name FENOFIBRIC ACID
Phase Approved
Structure Type MOL
InChI Key MQOBSOSZFYZQOK-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Fenocor-67 Fenofibrate free acid Fenofibrate related compound b Fenofibric acid Fibricor LF-153 Lipanthyl Lofibra NSC-281318 Procetofenic acid Supralip
7
Targets
48
Activities
4
Assay Types
0
PK Parameters
20
Publications
11
Known Names
6
Indications
1
Mechanisms

Molecular Properties

318.8
MW (Da)
3.81
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2008
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -fibrate
USAN Year 2006

Extended Properties

Molecular Formula C17H15ClO4
MW 318.76
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.48

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Peroxisome proliferator-activated receptor alpha agonist AGONIST Peroxisome proliferator-activated receptor alpha ✓ ✓

Indications

Diabetes Mellitus, Type 2 Hypercholesterolemia Hypertriglyceridemia Alcoholism Cholestasis Medulloblastoma

Activity Summary

EC50 22 meas. best 5.58
Kd 15 meas. best 7.03
IC50 7 meas. best 4.96
Ki 4 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty acid-binding protein, liver
CHEMBL5738
 Kd 7.03 5.5913 94.0 15
Fatty acid-binding protein, liver
CHEMBL5738
 Ki 6.48 5.52 334.0 2
Fatty acid-binding protein, intestinal
CHEMBL4879
 Ki 6.0 6.0 1000.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 5.58 4.7885 2646.0 13
L6
CHEMBL614793
 EC50 5.52 5.52 3000.0 1
Solute carrier family 22 member 12
CHEMBL6120
 IC50 4.96 4.96 11000.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL2128
 EC50 4.75 4.75 18000.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 IC50 4.62 4.4167 24000.0 3
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 Ki 4.46 4.46 35000.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty acid-binding protein, liver Kd = 94.0 nM 7.03 Binding affinity to rat recombinant L-FABP high affinity site expressed in Esche... 19663428
Fatty acid-binding protein, liver Kd = 100.0 nM 7.0 Binding affinity to rat recombinant L-FABP high affinity site expressed in Esche... 19663428
Fatty acid-binding protein, liver Kd = 160.0 nM 6.8 Binding affinity to rat recombinant L-FABP high affinity site expressed in Esche... 19663428
Fatty acid-binding protein, liver Kd = 220.0 nM 6.66 Binding affinity to rat recombinant L-FABP high affinity site expressed in Esche... 19663428
Fatty acid-binding protein, liver Ki = 334.0 nM 6.48 Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FAB... 18533710
Fatty acid-binding protein, liver Kd = 340.0 nM 6.47 Binding affinity to rat recombinant L-FABP high affinity site expressed in Esche... 19663428
Fatty acid-binding protein, liver Kd = 360.0 nM 6.44 Binding affinity to rat recombinant L-FABP high affinity site expressed in Esche... 19663428
Fatty acid-binding protein, liver Kd = 420.0 nM 6.38 Binding affinity to rat recombinant L-FABP high affinity site expressed in Esche... 19663428
Fatty acid-binding protein, intestinal Ki = 1000.0 nM 6.0 Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP 18533710
Peroxisome proliferator-activated receptor alpha EC50 = 2646.0 nM 5.58 Activity at human PPARalpha in CV1 cells 17005394
L6 EC50 = 3000.0 nM 5.52 Effect on fatty acid oxidation in rat L6 cells 17343371
Peroxisome proliferator-activated receptor alpha EC50 = 4500.0 nM 5.35 Binding affinity to histidine-tagged human PPARalpha-LBD assessed as recruitment... 21855333
Peroxisome proliferator-activated receptor alpha EC50 = 9200.0 nM 5.04 Agonist activity at human recombinant PPARalpha by transactivation of TK-MH100x4... 16617018
Solute carrier family 22 member 12 IC50 = 11000.0 nM 4.96 Inhibition of URAT1 (unknown origin) -
Peroxisome proliferator-activated receptor alpha EC50 = 12000.0 nM 4.92 Partial agonist activity at human PPARalpha expressed in CHO cells co-transfecte... 21377875
Peroxisome proliferator-activated receptor alpha EC50 = 12000.0 nM 4.92 Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cel... 21130649
Peroxisome proliferator-activated receptor alpha EC50 = 13000.0 nM 4.89 Cotransfection activity of compound against human Peroxisome proliferator activa... 14613314
Peroxisome proliferator-activated receptor alpha EC50 = 15000.0 nM 4.82 Effective concentration against human Peroxisome proliferator activated receptor... 15801817
Fatty acid-binding protein, liver Kd = 18000.0 nM 4.75 Binding affinity to rat recombinant L-FABP low affinity site expressed in Escher... 19663428
Peroxisome proliferator-activated receptor alpha EC50 = 18000.0 nM 4.75 Compound was tested for its agonist activity against murine Peroxisome prolifera... 10508427

Literature References

PubMed DOI Target Context # Activities
19663428 10.1021/jm801349e Fatty acid-binding protein, liver 18
14584939 10.1021/jm0309046 Mus musculus 8
12951090 10.1016/s0960-894x(03)00702-9 Mus musculus 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 6
34547896 10.1021/acs.jmedchem.1c00823 Transthyretin 4
17964792 10.1016/j.bmc.2007.10.007 Mus musculus 4
14584939 10.1021/jm0309046 Peroxisome proliferator-activated receptor alpha 4
11405642 10.1021/jm0155188 Peroxisome proliferator-activated receptor gamma 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 3
21855333 10.1016/j.bmcl.2011.07.095 Peroxisome proliferator-activated receptor alpha 3
15582409 10.1016/j.bmcl.2004.10.042 Peroxisome proliferator-activated receptor alpha 3
17005394 10.1016/j.bmcl.2006.09.011 Peroxisome proliferator-activated receptor alpha 3
17005394 10.1016/j.bmcl.2006.09.011 Peroxisome proliferator-activated receptor gamma 3
11405642 10.1021/jm0155188 Peroxisome proliferator-activated receptor alpha 3
19349176 10.1016/j.bmcl.2009.03.036 Peroxisome proliferator-activated receptor alpha 3
19349176 10.1016/j.bmcl.2009.03.036 Peroxisome proliferator-activated receptor gamma 3
17005393 10.1016/j.bmcl.2006.09.028 Peroxisome proliferator-activated receptor alpha 3
14584939 10.1021/jm0309046 Peroxisome proliferator-activated receptor gamma 2
14584939 10.1021/jm0309046 Peroxisome proliferator-activated receptor delta 2
12951090 10.1016/s0960-894x(03)00702-9 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine