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Compound Detail

CHEMBL1828827

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O=C(O)CCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1828827
Phase Preclinical
Structure Type MOL
InChI Key XGRCGOFPRQWTTC-NTEUORMPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.22
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O4
MW 324.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.05

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21889235 10.1016/j.ejmech.2011.08.022 Peroxisome proliferator-activated receptor alpha 2
21889235 10.1016/j.ejmech.2011.08.022 Unchecked 1

Data from ChEMBL 36 via Core Engine