Compound Detail

CHEMBL258386

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COc1cc(-c2nc3ccccc3[nH]2)ccc1OCCCCCOc1ccc(-c2nc3ccccc3[nH]2)cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL258386
Phase	Preclinical
Structure Type	MOL
InChI Key	LJQIFBDEIAUVOQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

548.6

MW (Da)

7.42

ALogP

HBA

HBD

94.3

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.29

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Entamoeba histolytica CHEMBL612853	IC50	5.29	5.29	5186.0	1
Trichomonas vaginalis CHEMBL612884	IC50	5.21	5.21	6153.0	1
Giardia intestinalis CHEMBL612652	IC50	4.89	4.89	12739.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Entamoeba histolytica	IC50	=	5186.0	nM	5.29	Antiprotozoal activity against Entamoeba histolytica	18486471
Trichomonas vaginalis	IC50	=	6153.0	nM	5.21	Antiprotozoal activity against Trichomonas vaginalis	18486471
Giardia intestinalis	IC50	=	12739.0	nM	4.89	Antiprotozoal activity against Giardia lamblia	18486471

PubMed	DOI	Target Context	# Activities
18486471	10.1016/j.bmcl.2008.05.009	Trichomonas vaginalis	1
18486471	10.1016/j.bmcl.2008.05.009	Giardia intestinalis	1
18486471	10.1016/j.bmcl.2008.05.009	Entamoeba histolytica	1
18486471	10.1016/j.bmcl.2008.05.009	Leishmania mexicana	1
18486471	10.1016/j.bmcl.2008.05.009	Plasmodium berghei	1

Data from ChEMBL 36 via Core Engine