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Compound Detail

CHEMBL4128239

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OB(O)c1cccc(Cn2cc(-c3cccnc3)nn2)c1

Basic Information

ChEMBL ID CHEMBL4128239
Phase Preclinical
Structure Type MOL
InChI Key OYXZGXVPZNYYJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

280.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13BN4O2
MW 280.10

Activity Summary

Ki 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 480.0 nM 6.32 Inhibition of bacterial beta-lactamase KPC-2 expressed in Escherichia coli BL21 ... 35792385

Literature References

PubMed DOI Target Context # Activities
29784271 10.1016/j.bmc.2018.04.055 Unchecked 4
29784271 10.1016/j.bmc.2018.04.055 Escherichia coli 2
35792385 10.1016/j.ejmech.2022.114571 Unchecked 2
35792385 10.1016/j.ejmech.2022.114571 HEK293 2
29784271 10.1016/j.bmc.2018.04.055 Beta-lactamase 1
29784271 10.1016/j.bmc.2018.04.055 Metallo-beta-lactamase type 2 1
35792385 10.1016/j.ejmech.2022.114571 Escherichia coli 1

Data from ChEMBL 36 via Core Engine