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Compound Detail

CHEMBL4742976

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

Basic Information

ChEMBL ID CHEMBL4742976
Phase Preclinical
Structure Type MOL
InChI Key NGERKAWALMXUOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

557.8
MW (Da)
5.83
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.34
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 C23H20BrClF2N2O3S
MW 557.84
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.48

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