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Compound Detail

CHEMBL2441394

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O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(C(F)(F)F)c1F

Basic Information

ChEMBL ID CHEMBL2441394
Phase Preclinical
Structure Type MOL
InChI Key BKKCIQLAVKUVQI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10BF4NO3
MW 339.05

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PBMC
CHEMBL613107
IC50 4.0 4.0 99000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PBMC IC50 = 99000.0 nM 4.0 Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... 24075731

Literature References

PubMed DOI Target Context # Activities
24075731 10.1016/j.bmcl.2013.08.096 PBMC 3

Data from ChEMBL 36 via Core Engine