Compound Detail

CHEMBL564393

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CC(C)NC(=N)c1cccc(OCc2ccc(COc3cccc(C(=N)NC(C)C)c3)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL564393
Phase	Preclinical
Structure Type	MOL
InChI Key	KNLTXSRILRPFEO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

458.6

MW (Da)

5.49

ALogP

HBA

HBD

90.2

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.32

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	7.32	7.32	47.4	1
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	5.92	5.92	1200.0	1
Leishmania donovani CHEMBL367	IC50	4.83	4.83	14800.0	1
L6 CHEMBL614793	IC50	4.06	4.06	87000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	47.4	nM	7.32	Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1	19409677
Trypanosoma brucei rhodesiense	IC50	=	1200.0	nM	5.92	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	19409677
Leishmania donovani	IC50	=	14800.0	nM	4.83	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D amastigo...	19409677
L6	IC50	=	87000.0	nM	4.06	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	1
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