Compound Detail

CHEMBL516462

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O=C(OC1CC2(N3CCCCC3)CC(c3ccccc3)C1C(c1ccccc1)C2)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL516462
Phase	Preclinical
Structure Type	MOL
InChI Key	BGVYVBJDHXIDAQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

465.6

MW (Da)

6.82

ALogP

HBA

HBD

29.5

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.18

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.18	6.145	660.0	2
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	5.51	5.165	3120.0	2
L6 CHEMBL614793	IC50	4.76	4.385	17250.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	660.0	nM	6.18	Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu...	17698258
Plasmodium falciparum	IC50	=	770.0	nM	6.11	Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu...	17698258
Trypanosoma brucei rhodesiense	IC50	=	3120.0	nM	5.51	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	17698258
Trypanosoma brucei rhodesiense	IC50	=	14990.0	nM	4.82	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	17698258
L6	IC50	=	17250.0	nM	4.76	Cytotoxicity against rat L6 cells	17698258
L6	IC50	=	97290.0	nM	4.01	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