Compound Detail

CHEMBL518167

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O=C(OC1CC2(N3CCCC3)CC(c3ccccc3)C1C(c1ccccc1)C2)c1ccncc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL518167
Phase	Preclinical
Structure Type	MOL
InChI Key	NAAJHTHOQMLWTO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

452.6

MW (Da)

5.82

ALogP

HBA

HBD

42.4

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.07

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.07	5.71	860.0	2
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	5.84	5.65	1440.0	2
L6 CHEMBL614793	IC50	4.57	4.565	26920.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	860.0	nM	6.07	Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu...	17698258
Trypanosoma brucei rhodesiense	IC50	=	1440.0	nM	5.84	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	17698258
Trypanosoma brucei rhodesiense	IC50	=	3490.0	nM	5.46	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	17698258
Plasmodium falciparum	IC50	=	4490.0	nM	5.35	Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu...	17698258
L6	IC50	=	26920.0	nM	4.57	Cytotoxicity against rat L6 cells	17698258
L6	IC50	=	27400.0	nM	4.56	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