Compound Detail

CHEMBL1823945

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O=C(Nc1ccccc1NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1823945
Phase	Preclinical
Structure Type	MOL
InChI Key	GSSGCGPLOMFZQE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

385.2

MW (Da)

5.50

ALogP

HBA

HBD

58.2

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 4.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transcriptional activator protein LasR CHEMBL1075207	IC50	4.3	4.2533	50000.0	3
Unchecked CHEMBL612545	IC50	4.3	4.23	50000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	50000.0	nM	4.3	Inhibition of quorum sensing in Pseudomonas aeruginosa assessed as inhibition of...	20669927
Transcriptional activator protein LasR	IC50	=	50000.0	nM	4.3	Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of...	29999316
Transcriptional activator protein LasR	IC50	=	50000.0	nM	4.3	Inhibition of Pseudomonas aeruginosa LasR	31706639
Transcriptional activator protein LasR	IC50	=	69000.0	nM	4.16	Inhibition of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incu...	31918952
Unchecked	IC50	=	70000.0	nM	4.16	Inhibition of LasR in Escherichia coli JLD271 harboring pSC11/pJN105L using CPRG...	31918952

PubMed	DOI	Target Context	# Activities
20669927	10.1021/jm901742e	Unchecked	1
29999316	10.1021/acs.jmedchem.8b00540	Transcriptional activator protein LasR	1
31706639	10.1016/j.ejmech.2019.111800	Transcriptional activator protein LasR	1
31918952	10.1016/j.bmc.2019.115282	Transcriptional activator protein LasR	1
31918952	10.1016/j.bmc.2019.115282	Unchecked	1

Data from ChEMBL 36 via Core Engine