Compound Detail

CHEMBL3397145

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CS(=O)(=O)c1nc2ccc(Cl)cc2nc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3397145
Phase	Preclinical
Structure Type	MOL
InChI Key	YBOMNVKTGXETTH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

277.1

MW (Da)

2.34

ALogP

HBA

HBD

59.9

PSA (Å²)

0.80

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.7

EC50 1 meas. best 5.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Leishmania amazonensis CHEMBL612877	IC50	6.7	6.105	200.0	2
Trypanosoma cruzi CHEMBL368	IC50	6.52	5.795	300.0	2
Trypanosoma cruzi CHEMBL368	EC50	5.16	5.16	6900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Leishmania amazonensis	IC50	=	200.0	nM	6.7	Antileishmanial activity against promastigote stage of Leishmania amazonensis WH...	25461316
Trypanosoma cruzi	IC50	=	300.0	nM	6.52	Antitrypanosomal activity against epimastigote stage of Trypanosoma cruzi Y afte...	25461316
Leishmania amazonensis	IC50	=	3100.0	nM	5.51	Antileishmanial activity against amastigote stage of Leishmania amazonensis WHOM...	25461316
Trypanosoma cruzi	EC50	=	6900.0	nM	5.16	Antitrypanosomal activity against trypomastigote stage of Trypanosoma cruzi Y in...	25461316
Trypanosoma cruzi	IC50	=	8600.0	nM	5.07	Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Y infect...	25461316

PubMed	DOI	Target Context	# Activities
25461316	10.1016/j.ejmech.2014.11.018	ADMET	6
25461316	10.1016/j.ejmech.2014.11.018	Trypanosoma cruzi	3
25461316	10.1016/j.ejmech.2014.11.018	Leishmania amazonensis	2
25461316	10.1016/j.ejmech.2014.11.018	Unchecked	1

Data from ChEMBL 36 via Core Engine