Compound Detail
CHEMBL331126
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Basic Information
| ChEMBL ID | CHEMBL331126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJWSGBDUJMBMKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
7.45
ALogP
3
HBA
3
HBD
47.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 6.08 | 6.08 | 840.0 | 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 | = | 840.0 | nM | 6.08 | Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line... | 9703475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703475 | 10.1021/jm980134b | Sodium channel protein type 2 subunit alpha | 1 |
| 9703475 | 10.1021/jm980134b | Glutamate NMDA receptor | 1 |
| 9703475 | 10.1021/jm980134b | Mus musculus | 1 |
| 9703475 | 10.1021/jm980134b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine