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Compound Detail

CHEMBL486764

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CCCc1cc(Cl)ccc1OC(Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL486764
Phase Preclinical
Structure Type MOL
InChI Key ZEAOWFQRMFFWCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.8
MW (Da)
4.37
ALogP
2
HBA
1
HBD
46.5
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 C18H19ClO3
MW 318.80
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
18835719 10.1016/j.bmc.2008.09.045 Peroxisome proliferator-activated receptor gamma 2
18835719 10.1016/j.bmc.2008.09.045 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine