Compound Detail

CHEMBL3604384

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Clc1cccc(CNc2nc3cc(Nc4ccnc5cc(Cl)ccc45)ccc3o2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3604384
Phase	Preclinical
Structure Type	MOL
InChI Key	IUUSLUCOWDMZHP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

435.3

MW (Da)

7.04

ALogP

HBA

HBD

63.0

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.91

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.91	6.78	124.0	2
CHO CHEMBL613853	IC50	4.59	4.59	25729.0	1
No relevant target CHEMBL2362975	IC50	4.57	4.57	27100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	124.0	nM	6.91	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54...	26264839
Plasmodium falciparum	IC50	=	223.0	nM	6.65	Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 inf...	26264839
CHO	IC50	=	25729.0	nM	4.59	Cytotoxicity against CHO cells by MTT assay	26264839
No relevant target	IC50	=	27100.0	nM	4.57	Inhibition of beta haematin formation after 5 to 6 hrs by pyridine-ferrichrome m...	26264839

PubMed	DOI	Target Context	# Activities
26264839	10.1016/j.bmc.2015.07.051	Plasmodium falciparum	3
26264839	10.1016/j.bmc.2015.07.051	No relevant target	2
26264839	10.1016/j.bmc.2015.07.051	CHO	1
26264839	10.1016/j.bmc.2015.07.051	Unchecked	1

Data from ChEMBL 36 via Core Engine