Compound Detail

CHEMBL4170340

Enter ChEMBL ID:

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

CCCCCCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4170340
Phase	Preclinical
Structure Type	MOL
InChI Key	CNCXBTHLHZTMBY-CPNJWEJPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

343.4

MW (Da)

4.07

ALogP

HBA

HBD

97.7

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.02

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma cruzi CHEMBL368	IC50	6.02	5.696	960.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma cruzi	IC50	=	960.0	nM	6.02	Antitrypanosomal activity against Trypanosoma cruzi Y Tc2 amastigotes infected i...	29247858
Trypanosoma cruzi	IC50	=	1760.0	nM	5.75	Antitrypanosomal activity against Trypanosoma cruzi Colombiana Tc1 epimastigotes...	29247858
Trypanosoma cruzi	IC50	=	1990.0	nM	5.7	Antitrypanosomal activity Trypanosoma cruzi Bug 2149 cl10 Tc5 epimastigotes meas...	29247858
Trypanosoma cruzi	IC50	=	2550.0	nM	5.59	Antitrypanosomal activity Trypanosoma cruzi Y Tc2 epimastigotes measured after 7...	29247858
Trypanosoma cruzi	IC50	=	3770.0	nM	5.42	Antitrypanosomal activity against Trypanosoma cruzi Silvio X10 cl1 Tc1 epimastig...	29247858

PubMed	DOI	Target Context	# Activities
29247858	10.1016/j.ejmech.2017.12.011	Trypanosoma cruzi	12
29247858	10.1016/j.ejmech.2017.12.011	U2OS	1
29247858	10.1016/j.ejmech.2017.12.011	Unchecked	1

Data from ChEMBL 36 via Core Engine