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Compound Detail

CHEMBL4791648

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COc1ccc(N(C(=O)c2noc(C)c2[N+](=O)[O-])C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4791648
Phase Preclinical
Structure Type MOL
InChI Key DANDPZFXRKTTSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

555.0
MW (Da)
5.36
ALogP
8
HBA
1
HBD
127.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23ClN4O6S
MW 555.01
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.77

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