Compound Detail

CHEMBL4858119

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CN(C)c1ccc(C2OB(O)c3cc(Cl)ccc32)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4858119
Phase	Preclinical
Structure Type	MOL
InChI Key	YMZHMVXNMWFADQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

287.6

MW (Da)

First in Class Prodrug

Molecular Formula	C15H15BClNO2
MW	287.56

IC50 6 meas. best 6.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.33	5.556	470.0	5
Beta-lactamase TEM CHEMBL2364670	IC50	5.36	5.36	4340.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	470.0	nM	6.33	Inhibition of bacterial Beta-lactamase SFH-1 (3 - 234) expressed in Escherichia ...	33744439
Unchecked	IC50	=	810.0	nM	6.09	Inhibition of bacterial Beta-lactamase KPC-2 (29 - 289) (unknown origin) express...	33744439
Unchecked	IC50	=	1960.0	nM	5.71	Inhibition of bacterial Beta-lactamase OXA-48 (1 - 265) (unknown origin) express...	33744439
Unchecked	IC50	=	3600.0	nM	5.44	Inhibition of bacterial Beta-lactamase AmpC (20 - 377) (unknown origin) expresse...	33744439
Beta-lactamase TEM	IC50	=	4340.0	nM	5.36	Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) express...	33744439
Unchecked	IC50	=	61730.0	nM	4.21	Inhibition of bacterial New Delhi metallo-beta-lactamase 1 (1- 270) (unknown ori...	33744439

PubMed	DOI	Target Context	# Activities
33744439	10.1016/j.bmcl.2021.127956	Unchecked	6
33744439	10.1016/j.bmcl.2021.127956	Beta-lactamase TEM	1

Data from ChEMBL 36 via Core Engine