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Compound Detail

CHEMBL140642

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CC(O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL140642
Phase Preclinical
Structure Type MOL
InChI Key GZWMDPGUFOOZAX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
2.75
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.73
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 C16H12F3NO4S
MW 371.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
8917648 10.1021/jm960365n Sulfonylurea receptors; K-ATP channels 1

Data from ChEMBL 36 via Core Engine