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Compound Detail

CHEMBL4461260

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NCc1ccc(C(=O)N[C@H]2Cc3cccc(C(=O)O)c3O[B-]2(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461260
Phase Preclinical
Structure Type MOL
InChI Key QLXKUYDHLJOWQG-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.1
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18BN2O6-
MW 357.15

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 29.0 nM 7.54 Inhibition of bacteria NMD-1 32229085

Literature References

PubMed DOI Target Context # Activities
31063379 10.1021/acs.jmedchem.8b01781 Beta-lactamase CTX-M-27 7
32229085 10.1016/j.bmc.2020.115437 Unchecked 1

Data from ChEMBL 36 via Core Engine