Compound Detail

CHEMBL9395

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CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL9395
Phase	Preclinical
Structure Type	MOL
InChI Key	IXNKQDSRADETAL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

397.9

MW (Da)

5.16

ALogP

HBA

HBD

71.1

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.0	6.0	1000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	1000.0	nM	6.0	Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium...	18395298
Plasmodium falciparum	IC50	=	1000.0	nM	6.0	Antimicrobial activity against Plasmodium falciparum	20185316

PubMed	DOI	Target Context	# Activities
6988589	10.1021/jm00177a011	Salmonella typhimurium	3
6988589	10.1021/jm00177a011	Mus musculus	3
6747989	10.1021/jm00374a020	P388	3
3959029	10.1021/jm00154a014	ADMET	2
6988589	10.1021/jm00177a011	ADMET	1
6988589	10.1021/jm00177a011	No relevant target	1
3959029	10.1021/jm00154a014	No relevant target	1
6747989	10.1021/jm00374a020	No relevant target	1
6747989	10.1021/jm00374a020	ADMET	1
6747989	10.1021/jm00374a020	L1210	1
18395298	10.1016/j.ejmech.2008.02.005	Plasmodium falciparum	1
20185316	10.1016/j.bmc.2010.01.068	Plasmodium falciparum	1

Data from ChEMBL 36 via Core Engine