Compound Detail
CHEMBL5766582
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O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccccc3)C2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5766582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVDJRUZWJVKEIQ-HXUWFJFHSA-N |
2
Targets
6
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 6 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.65 | 7.65 | 22.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.64 | 6.73 | 23.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 22.6 | nM | 7.65 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 35.6 | nM | 7.45 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 36.0 | nM | 7.44 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 2756.0 | nM | 5.56 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 2756.0 | nM | 5.56 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
Data from ChEMBL 36 via Core Engine