Compound Detail

CHEMBL518623

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CN(C)C12CC(OC(=O)c3ccncc3)C(C(c3ccccc3)C1)C(c1ccccc1)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL518623
Phase	Preclinical
Structure Type	MOL
InChI Key	XSEUUZDQHJQKOZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

426.6

MW (Da)

5.29

ALogP

HBA

HBD

42.4

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.31	6.125	490.0	2
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	5.78	5.64	1680.0	2
L6 CHEMBL614793	IC50	4.9	4.74	12530.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	490.0	nM	6.31	Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu...	17698258
Plasmodium falciparum	IC50	=	1140.0	nM	5.94	Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu...	17698258
Trypanosoma brucei rhodesiense	IC50	=	1680.0	nM	5.78	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	17698258
Trypanosoma brucei rhodesiense	IC50	=	3160.0	nM	5.5	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	17698258
L6	IC50	=	12530.0	nM	4.9	Cytotoxicity against rat L6 cells	17698258
L6	IC50	=	26140.0	nM	4.58	Cytotoxicity against rat L6 cells	17698258

PubMed	DOI	Target Context	# Activities
17698258	10.1016/j.ejmech.2007.06.007	Plasmodium falciparum	2
17698258	10.1016/j.ejmech.2007.06.007	Trypanosoma brucei rhodesiense	2
17698258	10.1016/j.ejmech.2007.06.007	L6	2

Data from ChEMBL 36 via Core Engine