Compound Detail

CHEMBL3397137

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Clc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3397137
Phase	Preclinical
Structure Type	MOL
InChI Key	OTIWOXVDUIMTEZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

351.2

MW (Da)

6.27

ALogP

HBA

HBD

25.8

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Leishmania amazonensis CHEMBL612877	IC50	5.28	5.28	5300.0	1
Trypanosoma brucei CHEMBL612849	IC50	4.4	4.4	39810.0	1
Trypanosoma cruzi CHEMBL368	IC50	4.27	4.27	54000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Leishmania amazonensis	IC50	=	5300.0	nM	5.28	Antileishmanial activity against promastigote stage of Leishmania amazonensis WH...	25461316
Trypanosoma brucei	IC50	=	39810.0	nM	4.4	Antitrypanosomal activity against Trypanosoma brucei Lister 427 bloodstream form...	30100019
Trypanosoma cruzi	IC50	=	54000.0	nM	4.27	Antitrypanosomal activity against epimastigote stage of Trypanosoma cruzi Y afte...	25461316

PubMed	DOI	Target Context	# Activities
25461316	10.1016/j.ejmech.2014.11.018	ADMET	5
30100019	10.1016/j.bmc.2018.06.033	Leishmania donovani	3
30100019	10.1016/j.bmc.2018.06.033	Trypanosoma cruzi	3
25461316	10.1016/j.ejmech.2014.11.018	Trypanosoma cruzi	2
25461316	10.1016/j.ejmech.2014.11.018	Leishmania amazonensis	1
30100019	10.1016/j.bmc.2018.06.033	HepG2	1
30100019	10.1016/j.bmc.2018.06.033	THP-1	1
30100019	10.1016/j.bmc.2018.06.033	H9c2	1
30100019	10.1016/j.bmc.2018.06.033	Trypanosoma brucei	1

Data from ChEMBL 36 via Core Engine