Compound Detail
CHEMBL3657931
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
O=C(NS(=O)(=O)N1CC[C@H](O)C1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
Basic Information
| ChEMBL ID | CHEMBL3657931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMUKSSQOUCDNFP-JWDGYQHVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
3.34
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.17 | 8.1133 | 6.7 | 3 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.96 | 6.96 | 110.0 | 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 | = | 6.7 | nM | 8.17 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 6.7 | nM | 8.17 | Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 10.0 | nM | 8.0 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 110.0 | nM | 6.96 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
Data from ChEMBL 36 via Core Engine