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Compound Detail

CHEMBL230158

SELADELPAR
💊 Approved Drug
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💊 Approved Drug
CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1

Basic Information

ChEMBL ID CHEMBL230158
Name SELADELPAR
Phase Approved
Structure Type MOL
InChI Key JWHYSEDOYMYMNM-QGZVFWFLSA-N
Therapeutic ✓ Yes

Known Names

(+)-MBX-8025 Mbx-8025 RWJ-800025 Seladelpar
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
4
Known Names
6
Indications
1
Mechanisms

Molecular Properties

444.5
MW (Da)
5.05
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2024
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -delpar
USAN Year 2017

Extended Properties

Molecular Formula C21H23F3O5S
MW 444.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.87

Mechanism of Action

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

Indications

Liver Cirrhosis, Biliary Cholangitis, Sclerosing Hyperlipidemias Hyperlipoproteinemia Type II Non-alcoholic Fatty Liver Disease Liver Diseases

ATC Classification

A05AX07
seladelpar
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: BILE AND LIVER THERAPY

Activity Summary

EC50 4 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 8.72 8.7067 1.9 3
Peroxisome proliferator-activated receptor alpha
CHEMBL239
EC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17524639 10.1016/j.bmcl.2007.05.007 Peroxisome proliferator-activated receptor delta 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
17524639 10.1016/j.bmcl.2007.05.007 Peroxisome proliferator-activated receptor gamma 1
17524639 10.1016/j.bmcl.2007.05.007 Peroxisome proliferator-activated receptor alpha 1
31930920 10.1021/acs.jmedchem.9b01701 Peroxisome proliferator-activated receptor alpha 1
31930920 10.1021/acs.jmedchem.9b01701 Peroxisome proliferator-activated receptor gamma 1
31930920 10.1021/acs.jmedchem.9b01701 Peroxisome proliferator-activated receptor delta 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
32339855 10.1016/j.ejmech.2020.112311 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine