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Compound Detail

CHEMBL293526

REGLITAZAR
🧪 Phase II
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🧪 Phase II
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2C(=O)NOC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293526
Name REGLITAZAR
Phase Phase II
Structure Type MOL
InChI Key QBQLYIISSRXYKL-UHFFFAOYSA-N

Known Names

JT-501 JTT-501 JTT-501.BETA. Reglitazar
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
4
Known Names

Molecular Properties

392.4
MW (Da)
3.02
ALogP
6
HBA
1
HBD
90.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -glitazar

Extended Properties

Molecular Formula C22H20N2O5
MW 392.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.64

Activity Summary

EC50 8 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 7.08 7.08 83.0 2
Peroxisome proliferator-activated receptor gamma
CHEMBL2459
 EC50 7.05 7.05 89.0 1
3T3-L1
CHEMBL614510
 EC50 6.96 6.96 110.0 2
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 5.72 5.72 1900.0 2
Peroxisome proliferator-activated receptor alpha
CHEMBL2128
 EC50 5.37 5.37 4300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor gamma EC50 = 83.0 nM 7.08 Agonist activity for Human PPAR gamma receptor in transcriptional activation ass... 10691680
Peroxisome proliferator-activated receptor gamma EC50 = 83.0 nM 7.08 In vitro transcription activation on human peroxisome proliferator activated rec... 15177462
Peroxisome proliferator-activated receptor gamma EC50 = 89.0 nM 7.05 Agonist activity for murine PPAR gamma receptor in transcriptional activation as... 10691680
3T3-L1 EC50 = 110.0 nM 6.96 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241
3T3-L1 EC50 = 110.0 nM 6.96 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241
Peroxisome proliferator-activated receptor alpha EC50 = 1900.0 nM 5.72 Agonist activity for Human PPAR alpha receptor in transcriptional activation ass... 10691680
Peroxisome proliferator-activated receptor alpha EC50 = 1900.0 nM 5.72 In vitro transcription activation on human peroxisome proliferator activated rec... 15177462
Peroxisome proliferator-activated receptor alpha EC50 = 4300.0 nM 5.37 Agonist activity for murine PPAR alpha receptor in transcriptional activation as... 10691680

Literature References

PubMed DOI Target Context # Activities
20014752 10.1021/tx900326k Hepatotoxicity 3
9599241 10.1021/jm970771m 3T3-L1 2
9599241 10.1021/jm970771m Mus musculus 2
10691680 10.1021/jm990554g Peroxisome proliferator-activated receptor alpha 2
10691680 10.1021/jm990554g Peroxisome proliferator-activated receptor gamma 2
10691680 10.1021/jm990554g Peroxisome proliferator-activated receptor delta 2
15177462 10.1016/j.bmcl.2004.04.053 Peroxisome proliferator-activated receptor alpha 2
15177462 10.1016/j.bmcl.2004.04.053 Peroxisome proliferator-activated receptor gamma 2
15177462 10.1016/j.bmcl.2004.04.053 Peroxisome proliferator-activated receptor delta 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
23419324 10.1016/j.bmc.2013.01.029 Mus musculus 1

Data from ChEMBL 36 via Core Engine