Compound Detail

CHEMBL2442607

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N/C(=N\O)c1ccc(-c2cncc(-c3ccc(/C(N)=N/O)cn3)n2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2442607
Phase	Preclinical
Structure Type	MOL
InChI Key	CYBNTGDYVHEVRF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

349.4

MW (Da)

1.39

ALogP

HBA

HBD

155.9

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.11

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	5.11	5.11	7780.0	1
Plasmodium falciparum CHEMBL364	IC50	5.08	5.08	8400.0	1
L6 CHEMBL614793	IC50	4.61	4.61	24600.0	1

Parameter	Value	Units	Species
T1/2	0.5	hr	Mus musculus
t1/2	-	-	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei rhodesiense	IC50	=	7780.0	nM	5.11	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assesse...	24012380
Plasmodium falciparum	IC50	=	8400.0	nM	5.08	Antiplasmodial activity against Plasmodium falciparum K1 assessed as [3H]-hypoxa...	24012380
L6	IC50	=	24600.0	nM	4.61	Cytotoxicity against rat L6 cells assessed as cell viability after 70 hrs by Ala...	24012380

PubMed	DOI	Target Context	# Activities
24012380	10.1016/j.bmc.2013.08.006	Trypanosoma brucei rhodesiense	2
24012380	10.1016/j.bmc.2013.08.006	Liver	1
24012380	10.1016/j.bmc.2013.08.006	Liver microsomes	1
24012380	10.1016/j.bmc.2013.08.006	L6	1
24012380	10.1016/j.bmc.2013.08.006	Plasmodium falciparum	1

Data from ChEMBL 36 via Core Engine