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Compound Detail

CHEMBL683

CLOFIBRIC ACID
🧪 Phase II
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🧪 Phase II
CC(C)(Oc1ccc(Cl)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL683
Name CLOFIBRIC ACID
Phase Phase II
Structure Type MOL
InChI Key TXCGAZHTZHNUAI-UHFFFAOYSA-N

Known Names

Acide clofibrique Acido clofibrico Clofibric acid NSC-1149
3
Targets
23
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

214.7
MW (Da)
2.58
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -fibrate

Extended Properties

Molecular Formula C10H11ClO3
MW 214.65
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.56

Activity Summary

EC50 13 meas. best 7.38
IC50 10 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL2128
 EC50 7.38 5.3233 42.0 3
Unchecked
CHEMBL612545
 IC50 4.55 4.55 28000.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 4.4 4.2875 39600.0 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha EC50 = 42.0 nM 7.38 Effective concentration against murine PPARalpha in transactivation assay 16107150
Unchecked IC50 = 28000.0 nM 4.55 Antagonist activity at human T1R2/T1R3 receptor expressed in HEK293E cells asses... 19817384
Peroxisome proliferator-activated receptor alpha EC50 = 39600.0 nM 4.4 Effective concentration against human PPARalpha expressed in HepG2 cells 16107150
Peroxisome proliferator-activated receptor alpha EC50 = 50000.0 nM 4.3 Compound was tested for its agonist activity against murine Peroxisome prolifera... 10508427
Peroxisome proliferator-activated receptor alpha EC50 = 50000.0 nM 4.3 Activity at PPARalpha 19817384
Peroxisome proliferator-activated receptor alpha EC50 = 50000.0 nM 4.3 Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cell... 30996794
Peroxisome proliferator-activated receptor alpha EC50 = 51000.0 nM 4.29 In vitro transcriptional activation of peroxisome proliferator activated alpha-r... 8576907
Peroxisome proliferator-activated receptor alpha EC50 = 55000.0 nM 4.26 Compound was tested for agonist activity on human Peroxisome proliferator activa... 10508427
Peroxisome proliferator-activated receptor alpha EC50 = 55000.0 nM 4.26 Agonist activity at human PPARalpha expressed in HEK293 cells assessed as recept... 19791744
Peroxisome proliferator-activated receptor alpha EC50 = 55000.0 nM 4.26 Agonist activity at PPARalpha ligand binding domain expressed in HEK293 cells co... 21742490
Peroxisome proliferator-activated receptor alpha EC50 = 55000.0 nM 4.26 Transactivation of PPARalpha expressed in HEK293A cells co-expressing GAL4 after... 23137448
Peroxisome proliferator-activated receptor alpha EC50 = 55000.0 nM 4.26 Transactivation of human GAL4-fused PPARalpha ligand binding domain transfected ... 23102891

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 582
32206235 10.1039/C9MD00286C No relevant target 13
3097315 10.1021/jm00161a007 Homo sapiens 6
6747995 10.1021/jm00374a006 ADMET 6
3133477 10.1021/jm00402a032 Homo sapiens 6
2441050 10.1021/jm00391a001 Rattus norvegicus 5
3669005 10.1021/jm00394a007 Homo sapiens 4
20926620 10.1124/dmd.110.035600 HEK293 4
16107150 10.1021/jm0502844 Peroxisome proliferator-activated receptor alpha 4
19791744 10.1021/jm900878u Peroxisome proliferator-activated receptor alpha 3
23137448 10.1016/j.ejmech.2012.10.019 Peroxisome proliferator-activated receptor alpha 3
18083578 10.1016/j.bmc.2007.11.060 Peroxisome proliferator-activated receptor alpha 3
21742490 10.1016/j.bmcl.2011.06.028 Peroxisome proliferator-activated receptor alpha 2
19817384 10.1021/jm900823s Unchecked 2
16107150 10.1021/jm0502844 Peroxisome proliferator-activated receptor gamma 2
2441050 10.1021/jm00391a001 Homo sapiens 2
8576907 10.1021/jm950395a Peroxisome proliferator-activated receptor gamma 2
10508427 10.1021/jm9903601 Peroxisome proliferator-activated receptor delta 2
10508427 10.1021/jm9903601 Peroxisome proliferator-activated receptor gamma 2
10508427 10.1021/jm9903601 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine