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Compound Detail

CHEMBL473138

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O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473138
Phase Preclinical
Structure Type MOL
InChI Key KQHWINBJNATBNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.2
MW (Da)
4.87
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H6Cl2F3NO2S2
MW 376.21
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.19

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2200.0 nM 5.66 Inhibition of Plasmodium falciparum KAS3 expressed in Escherichia coli assessed ... 19191586

Literature References

PubMed DOI Target Context # Activities
19191586 10.1021/jm8008103 Plasmodium falciparum 2
19191586 10.1021/jm8008103 Unchecked 1

Data from ChEMBL 36 via Core Engine