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Compound Detail

CHEMBL2068465

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CC(C)(O/N=C(/C(=O)NCB(O)O)c1csc(N)n1)C(=O)O

Basic Information

ChEMBL ID CHEMBL2068465
Phase Preclinical
Structure Type MOL
InChI Key ZECCQELUYUPTSB-GIDUJCDVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H15BN4O6S
MW 330.13

Activity Summary

Ki 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL2026
Ki 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase Ki = 20.0 nM 7.7 Binding affinity towards AmpC beta-lactamase binding site from Escherichia coli 12109906

Literature References

PubMed DOI Target Context # Activities
12109906 10.1021/jm020002p Beta-lactamase 1

Data from ChEMBL 36 via Core Engine