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Compound Detail

CHEMBL4796262

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O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796262
Phase Preclinical
Structure Type MOL
InChI Key MJXURPXSMJDLAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.3
MW (Da)
5.73
ALogP
4
HBA
0
HBD
66.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19Cl2F2N3O3
MW 506.34
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.61

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