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Compound Detail

CHEMBL4588079

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NCC(=O)N[C@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4588079
Phase Preclinical
Structure Type MOL
InChI Key WVHXPJCYQRYKPC-WHOFXGATSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26BN3O6
MW 403.24

Activity Summary

IC50 4 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.22 7.0925 6.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6.0 nM 8.22 Inhibition of bacterial AmpC using nitrocefin as substrate preincubated for 15 m... 31765155
Unchecked IC50 = 34.0 nM 7.47 Inhibition of bacterial KPC-2 using imipenem as substrate preincubated for 15 mi... 31765155
Unchecked IC50 = 355.0 nM 6.45 Inhibition of bacterial OXA-48 using nitrocefin as substrate preincubated for 15... 31765155
Unchecked IC50 = 594.0 nM 6.23 Inhibition of bacterial VIM-2 using nitrocefin as substrate preincubated for 15 ... 31765155

Literature References

PubMed DOI Target Context # Activities
31765155 10.1021/acs.jmedchem.9b01518 Unchecked 7
31765155 10.1021/acs.jmedchem.9b01518 Beta-lactamase VIM-2 1

Data from ChEMBL 36 via Core Engine