Compound Detail
CHEMBL3662090
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O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F
Basic Information
| ChEMBL ID | CHEMBL3662090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADMLHCZRKYFTCM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
4.77
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.52 | 8.31 | 3.0 | 2 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.89 | 6.89 | 130.0 | 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 | = | 3.0 | nM | 8.52 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 8.0 | nM | 8.1 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 130.0 | nM | 6.89 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
Data from ChEMBL 36 via Core Engine