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Compound Detail

CHEMBL4778307

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O=C(Nc1ccc(F)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778307
Phase Preclinical
Structure Type MOL
InChI Key TXHQTGQOMAPCND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.3
MW (Da)
4.39
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9F4NO3S
MW 359.30
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.65

Activity Summary

EC50 1 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 2
CHEMBL2321615
 EC50 5.02 5.02 9500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium channel subfamily K member 2 EC50 = 9500.0 nM 5.02 Activation of human TREK1 by thallium flux mobilization assay 31072652

Literature References

PubMed DOI Target Context # Activities
31072652 10.1016/j.bmcl.2019.04.048 Potassium channel subfamily K member 10 2
31072652 10.1016/j.bmcl.2019.04.048 Potassium channel subfamily K member 2 2

Data from ChEMBL 36 via Core Engine