Compound Detail

CHEMBL500339

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

N#Cc1ccc(B(O)O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL500339
Phase	Preclinical
Structure Type	MOL
InChI Key	CEBAHYWORUOILU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

146.9

MW (Da)

First in Class Prodrug

Molecular Formula	C7H6BNO2
MW	146.94

IC50 5 meas. best 6.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fatty-acid amide hydrolase 1 CHEMBL3229	IC50	6.54	6.54	290.0	1
Autotaxin CHEMBL3691	IC50	5.3	5.3	5011.9	1
LuxP/Q CHEMBL5291976	IC50	5.22	5.22	6000.0	1
Unchecked CHEMBL612545	IC50	5.22	5.22	6000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fatty-acid amide hydrolase 1	IC50	=	290.0	nM	6.54	Inhibition of Wistar rat brain FAAH assessed as [3H]arachidonoylethanolamide hyd...	18983140
Autotaxin	IC50	=	5011.87	nM	5.3	Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as su...	28564542
Unchecked	IC50	=	6000.0	nM	5.22	Inhibition of quorum sensing regulated bioluminescence in Vibrio harveyi	20669927
LuxP/Q	IC50	=	6000.0	nM	5.22	Antagonist activity against LuxPQ quorum sensing system in Vibrio harveyi MM32 a...	32871343

PubMed	DOI	Target Context	# Activities
20594849	10.1016/j.bmcl.2010.06.039	Unchecked	2
18983140	10.1021/jm801051t	Fatty-acid amide hydrolase 1	1
18983140	10.1021/jm801051t	Monoglyceride lipase	1
20669927	10.1021/jm901742e	Unchecked	1
28564542	10.1021/acs.jmedchem.6b01224	Autotaxin	1
32871343	10.1016/j.ejmech.2020.112741	LuxP/Q	1

Data from ChEMBL 36 via Core Engine