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Compound Detail

CHEMBL3342314

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O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(SCc2ccccc2B(O)O)nc1

Basic Information

ChEMBL ID CHEMBL3342314
Phase Preclinical
Structure Type MOL
InChI Key PXFGEOGWPQQGBH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16BF3N2O4S
MW 448.23

Activity Summary

IC50 2 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-X-C chemokine receptor type 2
CHEMBL2434
IC50 6.56 6.56 278.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25254640 10.1021/jm500827t C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine