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Compound Detail

CHEMBL299167

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CC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12

Basic Information

ChEMBL ID CHEMBL299167
Phase Preclinical
Structure Type MOL
InChI Key LZGACSIEPSVAQK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

351.2
MW (Da)
4.11
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.80
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 C15H11F6NO2
MW 351.25
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.48

Activity Summary

EC50 2 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
EC50 7.75 7.75 18.0 1
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 7.02 7.02 95.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12729655 10.1016/s0960-894x(03)00205-1 Sulfonylurea receptors; K-ATP channels 2
12729655 10.1016/s0960-894x(03)00205-1 Rattus norvegicus 2
12729655 10.1016/s0960-894x(03)00205-1 ATP-sensitive inward rectifier potassium channel 11 1
12729655 10.1016/s0960-894x(03)00205-1 Unchecked 1

Data from ChEMBL 36 via Core Engine