Compound Detail

CHEMBL211029

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(Cc1ccccc1)NCCCNCCCCNCCCNC(=O)Cc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL211029
Phase	Preclinical
Structure Type	MOL
InChI Key	GWILOLFSRJJVCU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

438.6

MW (Da)

2.44

ALogP

HBA

HBD

82.3

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.85	6.85	140.0	1
Leishmania donovani CHEMBL367	IC50	4.05	4.05	90000.0	1
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	4.02	4.02	96000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	140.0	nM	6.85	Antiprotozoal activity against erythrocytic stages of Plasmodium falciparum K1 b...	23265884
Leishmania donovani	IC50	=	90000.0	nM	4.05	Antiprotozoal activity against amastigote/ axenic stage of Leishmania donovani M...	23265884
Trypanosoma brucei rhodesiense	IC50	=	96000.0	nM	4.02	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB 900 after 72 ...	23265884

PubMed	DOI	Target Context	# Activities
16563762	10.1016/j.bmcl.2006.03.015	Glutamate NMDA receptor	2
23265884	10.1016/j.bmcl.2012.11.072	L6	2
23265884	10.1016/j.bmcl.2012.11.072	Plasmodium falciparum	1
23265884	10.1016/j.bmcl.2012.11.072	Leishmania donovani	1
23265884	10.1016/j.bmcl.2012.11.072	Trypanosoma cruzi	1
23265884	10.1016/j.bmcl.2012.11.072	Trypanosoma brucei rhodesiense	1
28886510	10.1016/j.ejmech.2017.08.014	Trypanothione reductase	1

Data from ChEMBL 36 via Core Engine