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Compound Detail

CHEMBL5283816

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O=C(O)c1cccc2c1OB(O)[C@@H](NC(=O)C1CCCCC1)C2

Basic Information

ChEMBL ID CHEMBL5283816
Phase Preclinical
Structure Type MOL
InChI Key ZRHUJXRVIMMHFG-ZDUSSCGKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.1
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20BNO5
MW 317.15

Activity Summary

IC50 2 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.29 6.49 51.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 51.0 nM 7.29 Inhibition of Escherichia coli VIM-2 34875836
Unchecked IC50 = 2040.0 nM 5.69 Inhibition of Escherichia coli NDM-1 34875836

Literature References

PubMed DOI Target Context # Activities
34875836 10.1021/acs.jmedchem.1c01691 Unchecked 2

Data from ChEMBL 36 via Core Engine