Compound Detail

CHEMBL255758

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N=C(N)c1cnc(-c2ccc(-c3cnc(C(=N)N)cn3)cc2)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL255758
Phase	Preclinical
Structure Type	MOL
InChI Key	FVGVCNKFCHBDHL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

318.3

MW (Da)

1.17

ALogP

HBA

HBD

151.3

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.18

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	7.18	7.18	65.4	1
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	5.15	5.15	7131.0	1
L6 CHEMBL614793	IC50	4.33	4.33	46500.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	65.4	nM	7.18	Antiplasmodial activity against Plasmodium falciparum K1	19699098
Trypanosoma brucei rhodesiense	IC50	=	7131.0	nM	5.15	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	19699098
L6	IC50	=	47000.0	nM	4.33	Cytotoxicity against rat L6 cells	18006310
L6	IC50	=	46500.0	nM	4.33	Cytotoxicity against rat L6 cells	19699098

PubMed	DOI	Target Context	# Activities
18006310	10.1016/j.bmcl.2007.11.013	Unchecked	1
18006310	10.1016/j.bmcl.2007.11.013	Leishmania donovani	1
18006310	10.1016/j.bmcl.2007.11.013	L6	1
19699098	10.1016/j.bmc.2009.07.080	L6	1
19699098	10.1016/j.bmc.2009.07.080	Unchecked	1
19699098	10.1016/j.bmc.2009.07.080	Plasmodium falciparum	1
19699098	10.1016/j.bmc.2009.07.080	Trypanosoma brucei rhodesiense	1
19699098	10.1016/j.bmc.2009.07.080	Nucleic Acid	1

Data from ChEMBL 36 via Core Engine