Compound Detail

CHEMBL557669

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N=C(N)c1cccc(OCc2ccc3ccc(COc4cccc(C(=N)N)c4)cc3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL557669
Phase	Preclinical
Structure Type	MOL
InChI Key	ORYAJLIYMFOJCH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

424.5

MW (Da)

4.57

ALogP

HBA

HBD

118.2

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.84

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	6.84	6.84	146.0	1
Plasmodium falciparum CHEMBL364	IC50	6.83	6.83	149.0	1
Leishmania donovani CHEMBL367	IC50	5.32	5.32	4770.0	1
L6 CHEMBL614793	IC50	4.52	4.52	30400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei rhodesiense	IC50	=	146.0	nM	6.84	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	19409677
Plasmodium falciparum	IC50	=	149.0	nM	6.83	Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1	19409677
Leishmania donovani	IC50	=	4770.0	nM	5.32	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D amastigo...	19409677
L6	IC50	=	30400.0	nM	4.52	Cytotoxicity against rat L6 cells	19409677

PubMed	DOI	Target Context	# Activities
19409677	10.1016/j.ejmech.2009.03.014	Trypanosoma brucei rhodesiense	3
19409677	10.1016/j.ejmech.2009.03.014	Unchecked	3
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

Data from ChEMBL 36 via Core Engine