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Compound Detail

CHEMBL1824171

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Cc1ccc(B(O)O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1824171
Phase Preclinical
Structure Type MOL
InChI Key LIXXGOMAGHXIMP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

153.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8BFO2
MW 153.95

Activity Summary

IC50 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
LuxP/Q
CHEMBL5291976
 IC50 5.4 5.4 4000.0 1
Unchecked
CHEMBL612545
 IC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4000.0 nM 5.4 Inhibition of quorum sensing regulated bioluminescence in Vibrio harveyi 20669927
LuxP/Q IC50 = 4000.0 nM 5.4 Antagonist activity against LuxPQ quorum sensing system in Vibrio harveyi MM32 a... 32871343

Literature References

PubMed DOI Target Context # Activities
20669927 10.1021/jm901742e Unchecked 1
32871343 10.1016/j.ejmech.2020.112741 LuxP/Q 1

Data from ChEMBL 36 via Core Engine