Compound Detail

CHEMBL551800

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Cc1ccc(S(=O)(=O)n2cc([N+](=O)[O-])nc2C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL551800
Phase	Preclinical
Structure Type	MOL
InChI Key	NLXPVIKTNJNWOY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

281.3

MW (Da)

1.65

ALogP

HBA

HBD

95.1

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.45

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Entamoeba histolytica CHEMBL612853	IC50	5.45	5.45	3550.0	1
Trichomonas vaginalis CHEMBL612884	IC50	5.0	5.0	9960.0	1
Giardia intestinalis CHEMBL612652	IC50	4.86	4.86	13970.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Entamoeba histolytica	IC50	=	3550.0	nM	5.45	Antiamnesic activity against Entamoeba histolytica HM-1:IMSS trophozoites after ...	19208443
Trichomonas vaginalis	IC50	=	9960.0	nM	5.0	Antiparasitic activity against Trichomonas vaginalis GT3 trophozoites after 48 h...	19208443
Giardia intestinalis	IC50	=	13970.0	nM	4.86	Antiparasitic activity against Giardia intestinalis IMSS:0696 trophozoites after...	19208443

PubMed	DOI	Target Context	# Activities
19208443	10.1016/j.ejmech.2009.01.005	Unchecked	3
19208443	10.1016/j.ejmech.2009.01.005	Entamoeba histolytica	2
19208443	10.1016/j.ejmech.2009.01.005	Trichomonas vaginalis	1
19208443	10.1016/j.ejmech.2009.01.005	MDCK	1
19208443	10.1016/j.ejmech.2009.01.005	Giardia intestinalis	1

Data from ChEMBL 36 via Core Engine