Compound Detail

CHEMBL4755856

Enter ChEMBL ID:

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

CN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4755856
Phase	Preclinical
Structure Type	MOL
InChI Key	LQOSVEYYDCNIQM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

329.2

MW (Da)

1.87

ALogP

HBA

HBD

94.2

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.81

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma cruzi CHEMBL368	IC50	5.81	5.81	1541.0	1
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	4.43	4.43	37400.0	1
Leishmania donovani CHEMBL367	IC50	4.32	4.32	47720.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma cruzi	IC50	=	1541.0	nM	5.81	Trypanocidal activity against Trypanosoma cruzi Tulahuen C4 amastigotes intra-pe...	27543881
Trypanosoma brucei rhodesiense	IC50	=	37400.0	nM	4.43	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 trypomasti...	27543881
Leishmania donovani	IC50	=	47720.0	nM	4.32	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 alamar blue st...	27543881

PubMed	DOI	Target Context	# Activities
27543881	10.1016/j.ejmech.2016.08.002	Unchecked	3
27543881	10.1016/j.ejmech.2016.08.002	Trypanosoma cruzi	2
27543881	10.1016/j.ejmech.2016.08.002	L6	1
27543881	10.1016/j.ejmech.2016.08.002	Leishmania donovani	1
27543881	10.1016/j.ejmech.2016.08.002	Trypanosoma brucei rhodesiense	1

Data from ChEMBL 36 via Core Engine