Compound Detail
CHEMBL6055897
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Basic Information
| ChEMBL ID | CHEMBL6055897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKGPXPMARIEEJP-OAHLLOKOSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.9
MW (Da)
5.31
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 7.39 | 6.745 | 41.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.47 | 5.375 | 3401.0 | 2 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.15 | 5.15 | 7010.0 | 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 | = | 41.0 | nM | 7.39 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 794.0 | nM | 6.1 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 3401.0 | nM | 5.47 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 5306.0 | nM | 5.28 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 7010.0 | nM | 5.15 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
Data from ChEMBL 36 via Core Engine