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Compound Detail

CHEMBL4209255

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O=C(NCB(O)O)S(=O)(=O)c1cc(-c2nnn[nH]2)cc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL4209255
Phase Preclinical
Structure Type MOL
InChI Key BZGWNDWGOZWNTD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9BF3N5O5S
MW 379.08

Activity Summary

Ki 2 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase 1
CHEMBL5732
Ki 10.3 10.3 0.1 1
Unchecked
CHEMBL612545
Ki 10.3 10.3 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28827113 10.1016/j.bmcl.2017.08.027 Beta-lactamase 1 1
31663735 10.1021/acs.jmedchem.9b01279 Unchecked 1

Data from ChEMBL 36 via Core Engine