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Compound Detail

CHEMBL2337322

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Cl.NCc1ccc(Sc2ccc3c(c2)B(O)OC3)cc1

Basic Information

ChEMBL ID CHEMBL2337322
Phase Preclinical
Structure Type MOL
InChI Key ZEOTXSCAQSFGFG-UHFFFAOYSA-N
Parent Compound CHEMBL3546193
Active Moiety CHEMBL3546193
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15BClNO2S
MW 307.61

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PBMC
CHEMBL613107
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PBMC IC50 = 10000.0 nM 5.0 Antiinflammatory activity in human PBMCs assessed as inhibition of LPS-induced T... 23411072

Literature References

PubMed DOI Target Context # Activities
23411072 10.1016/j.bmcl.2013.01.072 PBMC 5

Data from ChEMBL 36 via Core Engine