Compound Detail

CHEMBL556238

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N=C(N)c1cccc(OCc2ccccc2COc2cccc(C(=N)N)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL556238
Phase	Preclinical
Structure Type	MOL
InChI Key	ZOEZTRNZXXAAII-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

374.4

MW (Da)

3.41

ALogP

HBA

HBD

118.2

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.96	6.96	109.0	1
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	6.85	6.85	140.0	1
Leishmania donovani CHEMBL367	IC50	5.26	5.26	5500.0	1
L6 CHEMBL614793	IC50	4.07	4.07	84600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	109.0	nM	6.96	Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1	19409677
Trypanosoma brucei rhodesiense	IC50	=	140.0	nM	6.85	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	19409677
Leishmania donovani	IC50	=	5500.0	nM	5.26	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D amastigo...	19409677
L6	IC50	=	84600.0	nM	4.07	Cytotoxicity against rat L6 cells	19409677

PubMed	DOI	Target Context	# Activities
19409677	10.1016/j.ejmech.2009.03.014	Unchecked	3
19409677	10.1016/j.ejmech.2009.03.014	Trypanosoma brucei rhodesiense	2
19409677	10.1016/j.ejmech.2009.03.014	Plasmodium falciparum	1
19409677	10.1016/j.ejmech.2009.03.014	Leishmania donovani	1
19409677	10.1016/j.ejmech.2009.03.014	L6	1
19409677	10.1016/j.ejmech.2009.03.014	Mus musculus	1

Data from ChEMBL 36 via Core Engine