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Compound Detail

CHEMBL4572658

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COc1cc(C(F)(F)F)nc2ccc(COc3ccc(OCc4ccc(F)cc4)c(/C=C(\F)C(=O)O)c3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4572658
Phase Preclinical
Structure Type MOL
InChI Key GOJAFPPDVZXMER-UUYOSTAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.5
MW (Da)
6.95
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H20F5NO5
MW 545.46
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.74

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