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Compound Detail

CHEMBL4860504

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Cc1cc(COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4860504
Phase Preclinical
Structure Type MOL
InChI Key UBLFFLGXRLXSOW-CFRMEGHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
5.88
ALogP
5
HBA
1
HBD
82.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25FO6
MW 476.50
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
33784603 10.1016/j.ejmech.2021.113388 Peroxisome proliferator-activated receptor alpha 1
33784603 10.1016/j.ejmech.2021.113388 Peroxisome proliferator-activated receptor delta 1
33784603 10.1016/j.ejmech.2021.113388 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine