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Compound Detail

CHEMBL4592190

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C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4592190
Phase Preclinical
Structure Type MOL
InChI Key QGBVLIXLCXGNAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)
3.23
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20BrNO2
MW 338.25
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
31362921 10.1016/j.bmcl.2019.07.047 Pyrroline-5-carboxylate reductase 1, mitochondrial 1

Data from ChEMBL 36 via Core Engine