Compound Detail
CHEMBL3544913
VIXOTRIGINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL3544913 |
| Name | VIXOTRIGINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | JESCETIFNOFKEU-SJORKVTESA-N |
9
Targets
11
Activities
1
Assay Types
0
PK Parameters
12
Publications
9
Known Names
6
Indications
1
Mechanisms
Molecular Properties
314.4
MW (Da)
2.68
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Sodium channel protein type IX alpha subunit blocker | BLOCKER | Sodium channel protein type 9 subunit alpha | ✓ | ✓ |
Indications
Trigeminal Neuralgia Erythromelalgia Neuralgia Radiculopathy Bipolar Disorder Diabetic Neuropathies
Activity Summary
IC50 11 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.5 | 4.79 | 3200.0 | 2 |
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 4.82 | 4.74 | 15200.0 | 2 |
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Sodium channel protein type 3 subunit alpha CHEMBL5163 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Sodium channel protein type 7 subunit alpha CHEMBL3585 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Unchecked | 7 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 7 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 1 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 2 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 3 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 4 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 5 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 8 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 10 subunit alpha | 1 |
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 1 subunit alpha | 1 |
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 5 subunit alpha | 1 |
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine