Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL235951

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nn1cn[n+](Cc2ccc3sc(B(O)O)cc3c2)c1

Basic Information

ChEMBL ID CHEMBL235951
Phase Preclinical
Structure Type MOL
InChI Key OIJFJYAPZDYGLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

275.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12BN4O2S+
MW 275.12

Activity Summary

Ki 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase TEM
CHEMBL2065
Ki 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase TEM Ki = 170.0 nM 6.77 Inhibition of Escherichia coli beta-lactamase 17956081

Literature References

PubMed DOI Target Context # Activities
17956081 10.1021/jm070643q No relevant target 1
17956081 10.1021/jm070643q Beta-lactamase TEM 1
17956081 10.1021/jm070643q Escherichia coli 1

Data from ChEMBL 36 via Core Engine