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Compound Detail

CHEMBL4785072

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CC#CC(=O)N(c1ccc(OC)c(Cl)c1)C(C(=O)NCCc1ccccc1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4785072
Phase Preclinical
Structure Type MOL
InChI Key VQCHFRXQCKJGDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.0
MW (Da)
4.87
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23ClN2O3S
MW 466.99
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.36

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