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Compound Detail

CHEMBL3353570

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O=C(O)c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl

Basic Information

ChEMBL ID CHEMBL3353570
Phase Preclinical
Structure Type MOL
InChI Key FJRQXKXUXTWSOS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

470.9
MW (Da)
4.85
ALogP
4
HBA
1
HBD
87.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14ClF3N2O4S
MW 470.86
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 4.8 4.8 15974.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25455182 10.1016/j.bmcl.2014.10.074 Transient receptor potential cation channel subfamily M member 8 1
25455182 10.1016/j.bmcl.2014.10.074 Liver microsome 1
25455182 10.1016/j.bmcl.2014.10.074 No relevant target 1

Data from ChEMBL 36 via Core Engine