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Compound Detail

CHEMBL451321

METAGLIDASEN
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O=C(O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL451321
Name METAGLIDASEN
Phase Preclinical
Structure Type MOL
InChI Key DDTQLPXXNHLBAB-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.7
MW (Da)
4.56
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10ClF3O3
MW 330.69
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 5.0
IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
IC50 6.66 6.66 220.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
490551 10.1021/jm00195a011 Rattus norvegicus 6
22341573 10.1016/j.bmc.2012.01.025 Peroxisome proliferator-activated receptor alpha 2
22341573 10.1016/j.bmc.2012.01.025 Peroxisome proliferator-activated receptor gamma 2
18329752 10.1016/j.ejmech.2008.01.032 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine