Compound Detail

CHEMBL1795568

Enter ChEMBL ID:

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

N#Cc1ccc(OP(=O)(O)CNC(=O)C(=NO)c2cccs2)cc1F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1795568
Phase	Preclinical
Structure Type	MOL
InChI Key	JGBPKWNNDXMODR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

383.3

MW (Da)

2.28

ALogP

HBA

HBD

132.0

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Beta-lactamase CHEMBL2725	IC50	7.0	7.0	100.0	1
Beta-lactamase CHEMBL5031	IC50	6.7	6.7	200.0	1
Beta-lactamase CHEMBL1075159	IC50	4.68	4.68	21000.0	1
Unchecked CHEMBL612545	IC50	4.64	4.64	23000.0	1
Beta-lactamase SHV-5 CHEMBL1075174	IC50	4.57	4.57	27000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Beta-lactamase	IC50	=	100.0	nM	7.0	Inhibition of Enterobacter cloacae beta lactamase P99	21664132
Beta-lactamase	IC50	=	200.0	nM	6.7	Inhibition of Pseudomonas aeruginosa beta lactamase AmpC	21664132
Beta-lactamase	IC50	=	21000.0	nM	4.68	Inhibition of Acinetobacter baumannii beta lactamase OXA-40	21664132
Unchecked	IC50	=	23000.0	nM	4.64	Inhibition of Pseudomonas aeruginosa beta lactamase TEM-1	21664132
Beta-lactamase SHV-5	IC50	=	27000.0	nM	4.57	Inhibition of Klebsiella pneumoniae beta lactamase SHV-5	21664132

PubMed	DOI	Target Context	# Activities
21664132	10.1016/j.bmcl.2011.04.122	Beta-lactamase	3
21664132	10.1016/j.bmcl.2011.04.122	Unchecked	1
21664132	10.1016/j.bmcl.2011.04.122	Beta-lactamase SHV-5	1

Data from ChEMBL 36 via Core Engine