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Compound Detail

CHEMBL3609016

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O=C(Nc1ccc(F)cc1)c1ccc(N(Cc2ccc(B(O)O)cn2)Cc2ccco2)nc1

Basic Information

ChEMBL ID CHEMBL3609016
Phase Preclinical
Structure Type MOL
InChI Key KRRJDGLUFFFYHX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20BFN4O4
MW 446.25

Activity Summary

IC50 2 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-X-C chemokine receptor type 1
CHEMBL4029
IC50 8.48 8.48 3.3 1
C-X-C chemokine receptor type 2
CHEMBL2434
IC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26248802 10.1016/j.bmcl.2015.07.090 C-X-C chemokine receptor type 1 1
26248802 10.1016/j.bmcl.2015.07.090 C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine