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Compound Detail

CHEMBL482525

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O=C1C(O)=C(Cc2ccc(OCc3ccccc3F)cc2)C(=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL482525
Phase Preclinical
Structure Type MOL
InChI Key HUXVLJGHSSRDSZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
4.84
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17FO4
MW 388.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.22

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL4797
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18482837 10.1016/j.bmcl.2008.04.072 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine