Compound Detail

CHEMBL523962

Enter ChEMBL ID:

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

N#Cc1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL523962
Phase	Preclinical
Structure Type	MOL
InChI Key	KRZPAENRFLPNRU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

365.7

MW (Da)

3.32

ALogP

HBA

HBD

77.7

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.81

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	5.81	5.78	1560.0	2
KB CHEMBL398	IC50	5.56	5.56	2760.0	1
Trypanosoma cruzi CHEMBL368	IC50	5.04	5.04	9200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	1560.0	nM	5.81	Antimalarial activity after 48 hrs against chloroquine-sensitive Plasmodium falc...	18215443
Plasmodium falciparum	IC50	=	1770.0	nM	5.75	Antimalarial activity after 48 hrs against chloroquine-resistant Plasmodium falc...	18215443
KB	IC50	=	2760.0	nM	5.56	Cytotoxicity against human KB cells after 48 hrs by alamar blue assay	18215443
Trypanosoma cruzi	IC50	=	9200.0	nM	5.04	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes	20634064

PubMed	DOI	Target Context	# Activities
18215443	10.1016/j.ejmech.2007.11.024	Unchecked	3
19058970	10.1016/j.bmc.2008.10.086	Mycobacterium tuberculosis	2
18215443	10.1016/j.ejmech.2007.11.024	Plasmodium falciparum	2
20634064	10.1016/j.bmcl.2010.06.101	Trypanosoma cruzi	2
19058970	10.1016/j.bmc.2008.10.086	Vero	1
19058970	10.1016/j.bmc.2008.10.086	Unchecked	1
18215443	10.1016/j.ejmech.2007.11.024	KB	1
20634064	10.1016/j.bmcl.2010.06.101	No relevant target	1

Data from ChEMBL 36 via Core Engine