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Compound Detail

CHEMBL207570

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Cc1cc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc1OCC(=O)O

Basic Information

ChEMBL ID CHEMBL207570
Phase Preclinical
Structure Type MOL
InChI Key UDWOWKJZJXETKQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
6.37
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24O4
MW 424.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.51

Activity Summary

EC50 2 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 6.25 6.25 560.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
EC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16546385 10.1016/j.bmcl.2006.02.079 Peroxisome proliferator-activated receptor gamma 2
16546385 10.1016/j.bmcl.2006.02.079 Peroxisome proliferator-activated receptor delta 2
16546385 10.1016/j.bmcl.2006.02.079 Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine