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Compound Detail

CHEMBL4788956

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COc1ccc(N(C(=O)CC[N+](=O)[O-])C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788956
Phase Preclinical
Structure Type MOL
InChI Key DRWFWVHUIHTGGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.0
MW (Da)
4.51
ALogP
6
HBA
1
HBD
101.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClN3O5S
MW 501.99
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.45

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