Compound Detail
CHEMBL5987341
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5987341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPOVKLRCTLRSEG-JTQLQIEISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
5.56
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 6.77 | 6.77 | 169.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.89 | 5.89 | 1278.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.22 | 5.22 | 6073.0 | 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 | = | 169.0 | nM | 6.77 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 1278.0 | nM | 5.89 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 6073.0 | nM | 5.22 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
Data from ChEMBL 36 via Core Engine