Compound Detail

CHEMBL1172446

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FC(F)(F)c1nc2cc(Oc3cccc(Cl)c3Cl)ccc2[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1172446
Phase	Preclinical
Structure Type	MOL
InChI Key	GATAAHLEBYZPOW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

347.1

MW (Da)

5.68

ALogP

HBA

HBD

37.9

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Entamoeba histolytica CHEMBL612853	IC50	7.75	7.75	18.0	1
Giardia intestinalis CHEMBL612652	IC50	7.27	7.27	54.0	1
Trichomonas vaginalis CHEMBL612884	IC50	6.27	6.27	535.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Entamoeba histolytica	IC50	=	18.0	nM	7.75	Antiprotozoal activity against Entamoeba histolytica HM-1:IMSS after 48 hrs	20430484
Giardia intestinalis	IC50	=	54.0	nM	7.27	Antiprotozoal activity against Giardia intestinalis IMSS:0989:1 after 48 hrs	20430484
Trichomonas vaginalis	IC50	=	535.0	nM	6.27	Antiprotozoal activity against Trichomonas vaginalis G3 after 48 hrs	20430484

PubMed	DOI	Target Context	# Activities
20430484	10.1016/j.ejmech.2010.03.050	Trichinella spiralis	3
20430484	10.1016/j.ejmech.2010.03.050	Leishmania mexicana	1
20430484	10.1016/j.ejmech.2010.03.050	Trichomonas vaginalis	1
20430484	10.1016/j.ejmech.2010.03.050	Entamoeba histolytica	1
20430484	10.1016/j.ejmech.2010.03.050	Giardia intestinalis	1

Data from ChEMBL 36 via Core Engine