Compound Detail
CHEMBL5886921
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Basic Information
| ChEMBL ID | CHEMBL5886921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGPCJRRWYCECII-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
4.67
ALogP
6
HBA
2
HBD
74.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 4.75 | 4.75 | 17736.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 4.66 | 4.66 | 21667.0 | 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 | = | 120.0 | nM | 6.92 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 17736.0 | nM | 4.75 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 21667.0 | nM | 4.66 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
Data from ChEMBL 36 via Core Engine