Compound Detail
CHEMBL40788
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Basic Information
| ChEMBL ID | CHEMBL40788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYNMLOIKAXXFMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.5
MW (Da)
3.67
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 5.36 | 5.36 | 4400.0 | 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 | = | 4400.0 | nM | 5.36 | 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