Compound Detail

CHEMBL481349

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Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL481349
Phase	Preclinical
Structure Type	MOL
InChI Key	FUXMMBGEXQTCRJ-RIYZIHGNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

273.2

MW (Da)

2.26

ALogP

HBA

HBD

97.7

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma cruzi CHEMBL368	IC50	5.43	5.175	3710.0	2
Leishmania donovani CHEMBL367	IC50	4.96	4.96	10980.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma cruzi	IC50	=	3710.0	nM	5.43	Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi Y assessed ...	23816040
Leishmania donovani	IC50	=	10980.0	nM	4.96	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs ...	18571927
Trypanosoma cruzi	IC50	=	11920.0	nM	4.92	Antitrypanosomal activity against Trypanosoma cruzi Colombiana Tc1 epimastigotes...	29247858

PubMed	DOI	Target Context	# Activities
24751553	10.1016/j.bmc.2014.03.044	Staphylococcus aureus	3
29247858	10.1016/j.ejmech.2017.12.011	Trypanosoma cruzi	3
18571927	10.1016/j.bmc.2008.05.076	Leishmania donovani	2
23816040	10.1016/j.bmc.2013.06.017	Trypanosoma cruzi	2
24751553	10.1016/j.bmc.2014.03.044	Enterococcus faecalis	2
24751553	10.1016/j.bmc.2014.03.044	Candida albicans	2
24751553	10.1016/j.bmc.2014.03.044	Klebsiella pneumoniae	1
24751553	10.1016/j.bmc.2014.03.044	Enterobacter cloacae	1
24751553	10.1016/j.bmc.2014.03.044	Escherichia coli	1
24751553	10.1016/j.bmc.2014.03.044	Serratia marcescens	1

Data from ChEMBL 36 via Core Engine