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Compound Detail

CHEMBL334908

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[O-][S+](Cc1ncccc1OCC(F)(F)F)c1nc2cscc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334908
Phase Preclinical
Structure Type MOL
InChI Key CWSKSCRJKNSODL-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.27
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10F3N3O2S2
MW 361.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.11

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
1310742 10.1021/jm00081a004 Potassium-transporting ATPase alpha chain 1 1
1310742 10.1021/jm00081a004 Oryctolagus cuniculus 1
1310742 10.1021/jm00081a004 Potassium-transporting ATPase 1
1310742 10.1021/jm00081a004 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine