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Compound Detail

CHEMBL4762626

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Cc1onc(C(=O)N2CCc3c([nH]c4ccccc34)C2)c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4762626
Phase Preclinical
Structure Type MOL
InChI Key DEWGKIXEMUCREU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
2.57
ALogP
5
HBA
1
HBD
105.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O4
MW 326.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.42

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