Compound Detail

CHEMBL459437

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O=C(OC1CC2(N3CCCC3)CC(c3ccccc3)C1C(c1ccccc1)C2)c1ccc(Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL459437
Phase	Preclinical
Structure Type	MOL
InChI Key	KOSIZZFHENHXBG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

486.1

MW (Da)

7.08

ALogP

HBA

HBD

29.5

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.33	6.225	470.0	2
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	6.07	5.635	860.0	2
L6 CHEMBL614793	IC50	5.14	4.635	7310.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	470.0	nM	6.33	Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu...	17698258
Plasmodium falciparum	IC50	=	760.0	nM	6.12	Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu...	17698258
Trypanosoma brucei rhodesiense	IC50	=	860.0	nM	6.07	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	17698258
Trypanosoma brucei rhodesiense	IC50	=	6270.0	nM	5.2	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	17698258
L6	IC50	=	7310.0	nM	5.14	Cytotoxicity against rat L6 cells	17698258
L6	IC50	=	74870.0	nM	4.13	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