Compound Detail
CHEMBL4650313
ZANDATRIGINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4650313 |
| Name | ZANDATRIGINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UCSHINHOAVARGQ-SFHVURJKSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
460.6
MW (Da)
4.10
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Sodium channel protein type VIII alpha subunit inhibitor | INHIBITOR | Sodium channel protein type 8 subunit alpha | ✓ | ✓ |
Indications
Seizures
Activity Summary
IC50 5 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 7.27 | 6.92 | 54.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.64 | 15599.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 54.0 | nM | 7.27 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 272.0 | nM | 6.57 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 15599.0 | nM | 4.81 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 24339.0 | nM | 4.61 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 31664.0 | nM | 4.5 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
Data from ChEMBL 36 via Core Engine