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Compound Detail

CHEMBL189547

PLOGLITAZONE
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CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL189547
Name PLOGLITAZONE
Phase Preclinical
Structure Type MOL
InChI Key CZKMWGGUVIBIOI-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.76
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO3S
MW 355.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.30

Activity Summary

EC50 1 meas. best 6.24
Ki 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
EC50 6.24 6.24 580.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
Ki 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15293980 10.1021/jm030631e Peroxisome proliferator-activated receptor alpha 2
15293980 10.1021/jm030631e Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine