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Compound Detail

CHEMBL109227

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OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL109227
Phase Preclinical
Structure Type MOL
InChI Key SLHKDOGTVUCXKX-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

241.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H12B2O4
MW 241.85

Activity Summary

Ki 3 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL2026
Ki 6.7 6.7 200.0 2
Unchecked
CHEMBL612545
Ki 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19731939 10.1021/jm9009718 Penicillin-binding protein 2X 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
12109906 10.1021/jm020002p Beta-lactamase 1
9804697 10.1021/jm980343w Beta-lactamase 1
19731939 10.1021/jm9009718 No relevant target 1
20452208 10.1016/j.bmcl.2010.04.007 Unchecked 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine