Compound Detail
CHEMBL5939848
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5939848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKWRNZBTPSCWJT-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
4.84
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.29 | 7.18 | 5.1 | 6 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.1 | nM | 8.29 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 5.1 | nM | 8.29 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 6.1 | nM | 8.21 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 31.0 | nM | 7.51 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 31.0 | nM | 7.51 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
| Unchecked | IC50 | = | 4100.0 | nM | 5.39 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 4100.0 | nM | 5.39 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
Data from ChEMBL 36 via Core Engine