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Compound Detail

CHEMBL4745951

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O=C(c1ccnc(Cl)c1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745951
Phase Preclinical
Structure Type MOL
InChI Key RECLWZNGZSLNEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.8
MW (Da)
5.59
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20Cl3N3O
MW 460.79
Aromatic Rings 3
Heavy Atoms 30
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