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Compound Detail

CHEMBL4761568

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O=C(C1CC(Br)=NO1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4761568
Phase Preclinical
Structure Type MOL
InChI Key NUCJSENGDUANOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.2
MW (Da)
4.72
ALogP
4
HBA
0
HBD
45.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20BrCl2N3O2
MW 497.22
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.14

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