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Compound Detail

CHEMBL236008

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O=C(O)COc1c(O)cc(Br)cc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236008
Phase Preclinical
Structure Type MOL
InChI Key QGXDUZLGFCHZQT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.2
MW (Da)
3.20
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13BrO5
MW 353.17
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.14

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17728130 10.1016/j.bmcl.2007.08.019 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine