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Compound Detail

CHEMBL3662235

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CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3662235
Phase Preclinical
Structure Type MOL
InChI Key MTOFVXVDNHJZIU-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.8
MW (Da)
3.13
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19ClFNO4S
MW 363.84
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.39

Activity Summary

IC50 6 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 8.0 7.275 9.9 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 9 subunit alpha IC50 = 9.9 nM 8.0 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 9 subunit alpha IC50 = 9.9 nM 8.0 Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... -
Sodium channel protein type 9 subunit alpha IC50 = 43.0 nM 7.37 Inhibition of human Nav1.7 alpha subunit expressed in HEK293 cells co-expressing... 30499663
Sodium channel protein type 9 subunit alpha IC50 = 140.0 nM 6.85 Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... -
Sodium channel protein type 9 subunit alpha IC50 = 180.0 nM 6.75 Displacement of [3H]GX-545 from human Nav1.7 alpha subunit expressed in HEK293 c... 30499663
Sodium channel protein type 9 subunit alpha IC50 = 210.0 nM 6.68 Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... -

Literature References

PubMed DOI Target Context # Activities
30499663 10.1021/acs.jmedchem.8b01621 Sodium channel protein type 9 subunit alpha 2
30499663 10.1021/acs.jmedchem.8b01621 No relevant target 1

Data from ChEMBL 36 via Core Engine