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Compound Detail

CHEMBL1801617

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CC(=O)OCC(=O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801617
Phase Preclinical
Structure Type MOL
InChI Key DYDDLQHJYMWTMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.1
MW (Da)
2.19
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9BrO3
MW 257.08
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
21500862 10.1021/jm1016279 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine