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Compound Detail

CHEMBL140609

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CC(O)(C(=O)Nc1ccc(C#N)c(Sc2ccccc2)c1)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL140609
Phase Preclinical
Structure Type MOL
InChI Key HSWBBZLWIGINOW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.96
ALogP
4
HBA
2
HBD
73.1
PSA (Ų)
0.86
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 C17H13F3N2O2S
MW 366.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
IC50 5.08 5.08 8300.0 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