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Compound Detail

CHEMBL471850

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O=C(O)C(Cc1ccccc1-c1ccccc1)Oc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471850
Phase Preclinical
Structure Type MOL
InChI Key XSXGWODQMXLIET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
5.08
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClO3
MW 352.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.23

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