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Compound Detail

CHEMBL139724

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CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139724
Phase Preclinical
Structure Type MOL
InChI Key VLAQPMGYVZZRGM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
2.23
ALogP
6
HBA
2
HBD
96.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11F3N2O4S2
MW 380.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels IC50 = 1400.0 nM 5.85 IC50 evaluated by measuring contraction and relaxation of guinea pig bladder str... 8917648

Literature References

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

Data from ChEMBL 36 via Core Engine