Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL50760

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12

Basic Information

ChEMBL ID CHEMBL50760
Phase Preclinical
Structure Type MOL
InChI Key NTSVSXZWCKTFAR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
4.50
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F6NO2
MW 365.27
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.61

Activity Summary

EC50 2 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 8.05 8.05 8.9 1
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
EC50 7.82 7.82 15.0 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 ATP-sensitive inward rectifier potassium channel 11 1

Data from ChEMBL 36 via Core Engine