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Compound Detail

CHEMBL344890

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OB(O)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL344890
Phase Preclinical
Structure Type MOL
InChI Key LBUNNMJLXWQQBY-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

139.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6BFO2
MW 139.92

Activity Summary

IC50 2 meas. best 5.82
Ki 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 5.82 5.82 1500.0 1
Beta-lactamase
CHEMBL2026
Ki 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20594849 10.1016/j.bmcl.2010.06.039 Unchecked 2
9804697 10.1021/jm980343w Beta-lactamase 1
17588934 10.1126/science.1142189 Leucine--tRNA ligase, cytoplasmic 1
18983140 10.1021/jm801051t Fatty-acid amide hydrolase 1 1
18983140 10.1021/jm801051t Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine