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Compound Detail

CHEMBL4536044

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CCC/C(=C\c1cc(OC)ccc1OCc1ccc2nc(C(F)(F)F)cc(OC)c2c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4536044
Phase Preclinical
Structure Type MOL
InChI Key FJLGZCPAXSSYFS-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
6.12
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24F3NO5
MW 475.46
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
31548084 10.1016/j.bmc.2019.115082 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine