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Compound Detail

CHEMBL4758354

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C=CCOc1ccccc1CN(C(=O)c1noc(C)c1[N+](=O)[O-])c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758354
Phase Preclinical
Structure Type MOL
InChI Key ZRKXLKUYGQJJMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
4.03
ALogP
8
HBA
0
HBD
117.2
PSA (Ų)
0.29
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 C22H19N3O7
MW 437.41
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.38

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