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Compound Detail

CHEMBL346267

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O=C(O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

Basic Information

ChEMBL ID CHEMBL346267
Phase Preclinical
Structure Type MOL
InChI Key RBSRTJKBLCCGPO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

304.7
MW (Da)
4.18
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClO4
MW 304.73
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.52

Activity Summary

EC50 2 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL2128
EC50 4.1 4.1 80000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8576907 10.1021/jm950395a Peroxisome proliferator-activated receptor gamma 2
8576907 10.1021/jm950395a Peroxisome proliferator-activated receptor alpha 1
8576907 10.1021/jm950395a Peroxisome proliferator-activated receptor delta 1
25050878 10.1016/j.ejmech.2014.07.056 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine