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Compound Detail

CHEMBL1084081

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O=C(O)c1ccc(B(O)O)cc1NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1084081
Phase Preclinical
Structure Type MOL
InChI Key JJPKFZAOXOEFHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

467.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14BNO8S3
MW 467.31

Activity Summary

Ki 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 26.0 nM 7.58 Inhibition of AmpC beta lactamase by spectrophotometry 20452208

Literature References

PubMed DOI Target Context # Activities
20452208 10.1016/j.bmcl.2010.04.007 Unchecked 1
20452208 10.1016/j.bmcl.2010.04.007 No relevant target 1

Data from ChEMBL 36 via Core Engine