Compound Detail
CHEMBL5963590
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O=S(=O)(Nc1nccs1)c1cc(Cl)c(O[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5963590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAOSIJKQYCHPEL-BCDXTJNWSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.0
MW (Da)
5.31
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.47
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 6.81 | 6.6767 | 155.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 155.0 | nM | 6.81 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 155.0 | nM | 6.81 | Electrophysiological Assay: The following patch voltage clamp electrophysiology ... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 155.0 | nM | 6.81 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 155.0 | nM | 6.81 | Electrophysiological Assay (In Vitro Assay): Sodium currents were measured using... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 392.0 | nM | 6.41 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 392.0 | nM | 6.41 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine