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Compound Detail

CHEMBL1828824

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CC(=O)c1ccc(OCCCC(C)(C)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1828824
Phase Preclinical
Structure Type MOL
InChI Key HZODJLZGBNJSFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.16
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.61
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 C15H20O4
MW 264.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.19

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