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Compound Detail

CHEMBL4094945

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O=S(=O)(NCB(O)O)c1ccc(-c2nnn[nH]2)nc1

Basic Information

ChEMBL ID CHEMBL4094945
Phase Preclinical
Structure Type MOL
InChI Key HHNYNQPNDNBATH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9BN6O4S
MW 284.07

Activity Summary

Ki 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.8 nM 9.1 Inhibition of bacterial AmpC 28594170

Literature References

PubMed DOI Target Context # Activities
28594170 10.1021/acs.jmedchem.7b00215 Unchecked 1
28594170 10.1021/acs.jmedchem.7b00215 Escherichia coli 1

Data from ChEMBL 36 via Core Engine