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Compound Detail

CHEMBL358107

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CN1C(=O)c2cc(NC(=O)C(C)(O)C(F)(F)F)ccc2S1(=O)=O

Basic Information

ChEMBL ID CHEMBL358107
Phase Preclinical
Structure Type MOL
InChI Key LVDYWJPJWFKSDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.3
MW (Da)
0.71
ALogP
5
HBA
2
HBD
103.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11F3N2O5S
MW 352.29
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
IC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8917648 10.1021/jm960365n Sulfonylurea receptors; K-ATP channels 1

Data from ChEMBL 36 via Core Engine