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Compound Detail

CHEMBL4747514

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COc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)c(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4747514
Phase Preclinical
Structure Type MOL
InChI Key LMRSRPGCWLTGMK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
4.26
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
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 -1.28

Activity Summary

EC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 2
CHEMBL2321615
 EC50 4.7 4.7 20200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium channel subfamily K member 2 EC50 = 20200.0 nM 4.7 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