Compound Detail

CHEMBL239498

Enter ChEMBL ID:

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

N=C(N)c1ccc2oc(CCCCCCCCCc3cc4cc(C(=N)N)ccc4o3)cc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL239498
Phase	Preclinical
Structure Type	MOL
InChI Key	MXYOZKCEQJLPGD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

444.6

MW (Da)

6.26

ALogP

HBA

HBD

126.0

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	6.92	6.92	119.0	1
Plasmodium falciparum CHEMBL364	IC50	6.53	6.53	296.0	1
L6 CHEMBL614793	IC50	5.67	5.67	2160.0	1
Leishmania donovani CHEMBL367	IC50	5.5	5.5	3160.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei rhodesiense	IC50	=	119.0	nM	6.92	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	17948982
Plasmodium falciparum	IC50	=	296.0	nM	6.53	Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1	17948982
L6	IC50	=	2160.0	nM	5.67	Cytotoxicity against rat L6 cells	17948982
Leishmania donovani	IC50	=	3160.0	nM	5.5	Antitrypanosomal activity against Leishmania donovani (MHOM/SD/62/1S-CL2D) axeni...	17948982

PubMed	DOI	Target Context	# Activities
17948982	10.1021/jm0708634	Unchecked	4
17948982	10.1021/jm0708634	L6	1
17948982	10.1021/jm0708634	Trypanosoma brucei rhodesiense	1
17948982	10.1021/jm0708634	Plasmodium falciparum	1
17948982	10.1021/jm0708634	Leishmania donovani	1

Data from ChEMBL 36 via Core Engine