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Compound Detail

CHEMBL5169823

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[N-]=[N+]=Nc1cccc(B(O)O)c1

Basic Information

ChEMBL ID CHEMBL5169823
Phase Preclinical
Structure Type MOL
InChI Key CNGNYDYKPNOQMQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

162.9
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6BN3O2
MW 162.94

Activity Summary

Ki 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 450.0 nM 6.35 Inhibition of bacterial beta-lactamase KPC-2 expressed in Escherichia coli BL21 ... 35792385

Literature References

PubMed DOI Target Context # Activities
35792385 10.1016/j.ejmech.2022.114571 Escherichia coli 8
35792385 10.1016/j.ejmech.2022.114571 Unchecked 2
35792385 10.1016/j.ejmech.2022.114571 No relevant target 1
35792385 10.1016/j.ejmech.2022.114571 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine