Compound Detail
CHEMBL6022628
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Basic Information
| ChEMBL ID | CHEMBL6022628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXCKAMAKLHVARQ-OOJLDXBWSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.0
MW (Da)
4.53
ALogP
6
HBA
2
HBD
74.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 7.6 | 7.19 | 25.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.525 | 1030.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 25.0 | nM | 7.6 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 167.0 | nM | 6.78 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 1030.0 | nM | 5.99 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 1540.0 | nM | 5.81 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 8668.0 | nM | 5.06 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
Data from ChEMBL 36 via Core Engine