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Compound Detail

CHEMBL320310

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CS(=O)(=O)Nc1ccc(Nc2c3ccc(Cl)cc3nc3cc(Cl)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL320310
Phase Preclinical
Structure Type MOL
InChI Key DTSSDCZMUXAHOV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

432.3
MW (Da)
5.81
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15Cl2N3O2S
MW 432.33
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.08

Activity Summary

IC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 350.0 nM 6.46 Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... 18395298

Literature References

PubMed DOI Target Context # Activities
7069706 10.1021/jm00345a015 L1210 1
7069706 10.1021/jm00345a015 Mus sp. 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