Compound Detail

CHEMBL3215928

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COc1cc(-c2ccc(C(=N)N)cc2)cc(-c2ccc(C(=N)N)cc2)c1.Cl.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3215928
Phase	Preclinical
Structure Type	MOL
InChI Key	XKVXHTUMSOOBLT-UHFFFAOYSA-N
Parent Compound	CHEMBL3040046
Active Moiety	CHEMBL3040046

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

344.4

MW (Da)

3.60

ALogP

HBA

HBD

109.0

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	8.3	8.3	5.0	1
Plasmodium falciparum CHEMBL364	IC50	7.32	7.32	48.0	1
L6 CHEMBL614793	IC50	4.48	4.48	33000.0	1
Trypanosoma cruzi CHEMBL368	IC50	4.23	4.23	59100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei rhodesiense	IC50	=	5.0	nM	8.3	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 after 72 h...	23795673
Plasmodium falciparum	IC50	=	48.0	nM	7.32	Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum K1 af...	23795673
L6	IC50	=	33000.0	nM	4.48	Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay	23795673
Trypanosoma cruzi	IC50	=	59100.0	nM	4.23	Antiprotozoal activity against intracellular amastigote form of Trypanosoma cruz...	23795673

PubMed	DOI	Target Context	# Activities
23795673	10.1021/jm400508e	Unchecked	3
23795673	10.1021/jm400508e	Trypanosoma brucei rhodesiense	2
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