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Compound Detail

CHEMBL140946

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CC(O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL140946
Phase Preclinical
Structure Type MOL
InChI Key GRZXMPCZLPYDIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
2.88
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.58
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 C17H14F3NO4
MW 353.30
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
IC50 4.82 4.82 15000.0 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