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Compound Detail

CHEMBL4756558

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O=C(CC1CC(Br)=NO1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4756558
Phase Preclinical
Structure Type MOL
InChI Key HQQUMBOYFMQLMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.2
MW (Da)
5.11
ALogP
4
HBA
0
HBD
45.1
PSA (Ų)
0.56
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 C22H22BrCl2N3O2
MW 511.25
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.05

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