Compound Detail
CHEMBL3657937
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F
Basic Information
| ChEMBL ID | CHEMBL3657937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSLIEPIIAJYDTK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.23
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 9.0 | 8.5367 | 1.0 | 3 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.15 | 6.15 | 714.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1.0 | nM | 9.0 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 3.1 | nM | 8.51 | Inhibition of human Nav1.7 alpha subunit expressed in HEK293 cells co-expressing... | 30499663 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 8.0 | nM | 8.1 | Displacement of [3H]GX-545 from human Nav1.7 alpha subunit expressed in HEK293 c... | 30499663 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 714.0 | nM | 6.15 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30499663 | 10.1021/acs.jmedchem.8b01621 | Sodium channel protein type 9 subunit alpha | 2 |
Data from ChEMBL 36 via Core Engine