Compound Detail
CHEMBL5275826
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 | CHEMBL5275826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUJUYBNVEPPGSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.31
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL3414411 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human Nav1.7 at -30 mV holding potential by automated patch-clamp ... | 36092147 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of mouse Nav1.7 at -30 mV holding potential by automated patch-clamp ... | 36092147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36092147 | 10.1039/d2md00081d | ADMET | 3 |
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 9 subunit alpha | 2 |
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 5 subunit alpha | 1 |
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 1 subunit alpha | 1 |
| 36092147 | 10.1039/d2md00081d | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine