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Compound Detail

CHEMBL247951

PEMAFIBRATE
💊 Approved Drug
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💊 Approved Drug
CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247951
Name PEMAFIBRATE
Phase Approved
Structure Type MOL
InChI Key ZHKNLJLMDFQVHJ-RUZDIDTESA-N

Known Names

(R)-K-13675 K-13675, (r)- Pemafibrate Pemafibrato
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
4
Known Names
2
Indications
1
Mechanisms

Molecular Properties

490.6
MW (Da)
5.55
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2017
Availability Unknown
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -fibrate

Extended Properties

Molecular Formula C28H30N2O6
MW 490.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.85

Mechanism of Action

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

Indications

Cardiovascular Diseases Diabetic Retinopathy

ATC Classification

C10AB12
pemafibrate
Level 1: CARDIOVASCULAR SYSTEM
Level 2: LIPID MODIFYING AGENTS

Activity Summary

EC50 7 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 9.0 9.0 1.0 3
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 5.96 5.865 1100.0 2
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 5.8 5.4 1580.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha EC50 = 1.0 nM 9.0 Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay 17553678
Peroxisome proliferator-activated receptor alpha EC50 = 1.0 nM 9.0 Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin)... 25491112
Peroxisome proliferator-activated receptor alpha EC50 = 1.0 nM 9.0 Agonist activity at Gal4-fused PPARalpha LBD (unknown origin) transfected in hum... 32339855
Peroxisome proliferator-activated receptor gamma EC50 = 1100.0 nM 5.96 Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay 17553678
Peroxisome proliferator-activated receptor delta EC50 = 1580.0 nM 5.8 Agonist activity at human recombinant PPARdelta by GAL4 transactivation assay 17553678
Peroxisome proliferator-activated receptor gamma EC50 = 1700.0 nM 5.77 Agonist activity at GAL4-tagged PPARgamma (unknown origin) 25491112
Peroxisome proliferator-activated receptor delta EC50 = 10000.0 nM 5.0 Agonist activity at GAL4-tagged PPARdelta (unknown origin) 25491112

Literature References

PubMed DOI Target Context # Activities
17553678 10.1016/j.bmcl.2007.05.066 Rattus norvegicus 2
17553678 10.1016/j.bmcl.2007.05.066 Unchecked 2
17553678 10.1016/j.bmcl.2007.05.066 Peroxisome proliferator-activated receptor alpha 1
17553678 10.1016/j.bmcl.2007.05.066 Peroxisome proliferator-activated receptor gamma 1
17553678 10.1016/j.bmcl.2007.05.066 Peroxisome proliferator-activated receptor delta 1
17553678 10.1016/j.bmcl.2007.05.066 Mus musculus 1
25491112 10.1016/j.bmcl.2014.11.052 Peroxisome proliferator-activated receptor alpha 1
25491112 10.1016/j.bmcl.2014.11.052 Peroxisome proliferator-activated receptor delta 1
25491112 10.1016/j.bmcl.2014.11.052 Peroxisome proliferator-activated receptor gamma 1
32339855 10.1016/j.ejmech.2020.112311 Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine