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Compound Detail

CHEMBL2325389

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O=S(=O)(Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325389
Phase Preclinical
Structure Type MOL
InChI Key BSAMZKIVXZVOPA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.7
MW (Da)
6.24
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12Cl3NO3S
MW 428.72
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.54

Activity Summary

EC50 2 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 5.33 5.31 4700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 4700.0 nM 5.33 Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... 23313245
Plasmodium falciparum EC50 = 5100.0 nM 5.29 Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o... 23313245

Literature References

PubMed DOI Target Context # Activities
23313245 10.1016/j.bmcl.2012.12.022 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine