Compound Detail
CHEMBL448556
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Basic Information
| ChEMBL ID | CHEMBL448556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEDNOUAODRFJQN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
321.6
MW (Da)
3.74
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.4 | 6.49 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Displacement of [3H]BW202W92 from voltage-gated sodium channel in Wistar rat for... | 19341281 |
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of voltage-gated sodium channel in Wistar rat forebrain synaptosomes ... | 19341281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 8 subunit alpha | 5 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 2 subunit alpha | 4 |
| 19341281 | 10.1021/jm801180p | Unchecked | 2 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 5 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 9 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 1 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 10 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Hippocampus | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 4 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 3 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine