Compound Detail
CHEMBL5893806
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Basic Information
| ChEMBL ID | CHEMBL5893806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTYLSXLIPYTHJE-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
4.32
ALogP
6
HBA
2
HBD
74.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 7.96 | 7.43 | 11.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 4.84 | 4.835 | 14470.0 | 2 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 4.55 | 4.535 | 28008.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 11.0 | nM | 7.96 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 126.0 | nM | 6.9 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 14470.0 | nM | 4.84 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 14886.0 | nM | 4.83 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 28008.0 | nM | 4.55 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 30000.0 | nM | 4.52 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
Data from ChEMBL 36 via Core Engine