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Compound Detail

CHEMBL235526

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O=C(O)CNCc1ccc2sc(B(O)O)cc2c1

Basic Information

ChEMBL ID CHEMBL235526
Phase Preclinical
Structure Type MOL
InChI Key VRCPBICEVAIMRL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

265.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12BNO4S
MW 265.10

Activity Summary

Ki 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase TEM
CHEMBL2065
Ki 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase TEM Ki = 28.0 nM 7.55 Inhibition of Escherichia coli beta-lactamase 17956081

Literature References

PubMed DOI Target Context # Activities
17956081 10.1021/jm070643q No relevant target 1
17956081 10.1021/jm070643q Beta-lactamase TEM 1
17956081 10.1021/jm070643q Escherichia coli 1

Data from ChEMBL 36 via Core Engine