Compound Detail
CHEMBL5883078
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O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(O[C@H]2CCCN(Cc3ccccc3)C2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5883078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVDJRUZWJVKEIQ-FQEVSTJZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
3.43
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.97 | 5.97 | 1077.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.97 | 5.5767 | 1077.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1077.0 | nM | 5.97 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1077.0 | nM | 5.97 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
| Unchecked | IC50 | = | 4117.0 | nM | 5.38 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 4117.0 | nM | 5.38 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
Data from ChEMBL 36 via Core Engine