Compound Detail
CHEMBL5840472
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CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN([C@H](COC)c3cc(Cl)cc(Cl)c3)CC2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5840472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQIRJGCLEQYBML-RUZDIDTESA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
587.5
MW (Da)
5.57
ALogP
6
HBA
1
HBD
84.9
PSA (Ų)
0.37
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 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 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 7.7217 | 3.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 3.0 | nM | 8.52 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
| Unchecked | IC50 | = | 4.9 | nM | 8.31 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 6.3 | nM | 8.2 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 6.3 | nM | 8.2 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
Data from ChEMBL 36 via Core Engine