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Compound Detail

CHEMBL404155

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O=C(Cc1cccs1)N[C@H](B(O)O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL404155
Phase Preclinical
Structure Type MOL
InChI Key LGJCDEZMANATFA-ZDUSSCGKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H14BNO3S
MW 275.14

Activity Summary

Ki 2 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.46 7.46 35.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 35.0 nM 7.46 Inhibition of AmpC beta lactamase 17997318
Unchecked Ki = 35.0 nM 7.46 Inhibition of AmpC beta-lactamase (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C0MD00119H Unchecked 4
17997318 10.1016/j.bmc.2007.10.075 Unchecked 1

Data from ChEMBL 36 via Core Engine