Compound Detail
CHEMBL5997921
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Basic Information
| ChEMBL ID | CHEMBL5997921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSMFEMBCNVTKQG-JTQLQIEISA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.9
MW (Da)
5.05
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 7.58 | 7.16 | 26.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.63 | 5.495 | 2363.0 | 2 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.37 | 5.37 | 4222.0 | 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 | = | 26.0 | nM | 7.58 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 181.0 | nM | 6.74 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 2363.0 | nM | 5.63 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 4222.0 | nM | 5.37 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 4335.0 | nM | 5.36 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
Data from ChEMBL 36 via Core Engine