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Compound Detail

CHEMBL1761258

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O=C(Nc1ccc2c(c1)B(O)OC2)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1761258
Phase Preclinical
Structure Type MOL
InChI Key HJXKOPMRKLRHPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

253.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12BNO3
MW 253.07

Activity Summary

Ki 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL2725
Ki 4.33 4.33 46560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase Ki = 46560.0 nM 4.33 Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin ... 21392987

Literature References

PubMed DOI Target Context # Activities
21392987 10.1016/j.bmcl.2011.02.024 Unchecked 3
24075731 10.1016/j.bmcl.2013.08.096 PBMC 3
21392987 10.1016/j.bmcl.2011.02.024 Beta-lactamase 1

Data from ChEMBL 36 via Core Engine