Compound Detail
CHEMBL37100
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Basic Information
| ChEMBL ID | CHEMBL37100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSPXCXNCHMUCOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
5.20
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expres... | 8691482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691482 | 10.1021/jm950467y | Sodium channel protein type 2 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine