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Compound Detail

CHEMBL4755063

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COc1ccc(N(C(=O)C(F)(Cl)C(F)(F)F)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755063
Phase Preclinical
Structure Type MOL
InChI Key ZNUMBVNARYYJER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

563.4
MW (Da)
6.31
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.25
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 C24H20Cl2F4N2O3S
MW 563.40
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
32920142 10.1016/j.bmcl.2020.127538 Phospholipid hydroperoxide glutathione peroxidase GPX4 2

Data from ChEMBL 36 via Core Engine