Compound Detail

CHEMBL3216348

Enter ChEMBL ID:

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

Cl.Cl.Cl.N=C(N)c1ccc(-c2cc(Cl)cc(-c3ccc(C(=N)N)cc3)c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3216348
Phase	Preclinical
Structure Type	MOL
InChI Key	PUCSIZMWEAHYGV-UHFFFAOYSA-N
Parent Compound	CHEMBL3040205
Active Moiety	CHEMBL3040205

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

348.8

MW (Da)

4.24

ALogP

HBA

HBD

99.7

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	7.51	7.51	31.0	1
Plasmodium falciparum CHEMBL364	IC50	7.41	7.41	39.0	1
L6 CHEMBL614793	IC50	4.66	4.66	21900.0	1
Trypanosoma cruzi CHEMBL368	IC50	4.18	4.18	65500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei rhodesiense	IC50	=	31.0	nM	7.51	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 after 72 h...	23795673
Plasmodium falciparum	IC50	=	39.0	nM	7.41	Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum K1 af...	23795673
L6	IC50	=	21900.0	nM	4.66	Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay	23795673
Trypanosoma cruzi	IC50	=	65500.0	nM	4.18	Antiprotozoal activity against intracellular amastigote form of Trypanosoma cruz...	23795673

PubMed	DOI	Target Context	# Activities
23795673	10.1021/jm400508e	Trypanosoma brucei rhodesiense	3
23795673	10.1021/jm400508e	Unchecked	3
23795673	10.1021/jm400508e	Trypanosoma cruzi	1
23795673	10.1021/jm400508e	L6	1
23795673	10.1021/jm400508e	Plasmodium falciparum	1

Data from ChEMBL 36 via Core Engine