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Compound Detail

CHEMBL3657929

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CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CC3C4CCC(C4)C3C2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3657929
Phase Preclinical
Structure Type MOL
InChI Key YTSQUJOXQNTPEU-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
3.62
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.80
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 C19H23ClFNO4S
MW 415.91
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.68

Activity Summary

IC50 7 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 8.44 8.28 3.6 5
Sodium channel protein type 5 subunit alpha
CHEMBL1980
 IC50 6.13 6.13 743.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 9 subunit alpha IC50 = 3.6 nM 8.44 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 9 subunit alpha IC50 = 3.6 nM 8.44 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 9 subunit alpha IC50 = 3.6 nM 8.44 Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... -
Sodium channel protein type 9 subunit alpha IC50 = 9.0 nM 8.05 Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... -
Sodium channel protein type 9 subunit alpha IC50 = 9.3 nM 8.03 Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... -
Sodium channel protein type 5 subunit alpha IC50 = 743.0 nM 6.13 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 5 subunit alpha IC50 = 743.0 nM 6.13 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -

Data from ChEMBL 36 via Core Engine