| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | N03AX09 |
| UNII | U3H27498KS |
| EPA CompTox | DTXSID2023195 |
Structure
| InChI Key | PYZRQGJRPPTADH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7Cl2N5 |
| Molecular Weight | 256.1 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 90.71 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Mechanism of Action | Action | Reference |
|---|---|---|
| Sodium channel alpha subunit blocker | BLOCKER | PubMed PubMed PubMed DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 11 | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 4.1-46 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 13.6-24.9 |
Homo sapiens
Mus musculus
Rattus norvegicus
Target Conservation
|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 1 subunit alpha Organism : Homo sapiens P35498 ENSG00000144285 |
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Protein: Sodium channel alpha subunit Description: Sodium channel protein type 4 subunit alpha Organism : Homo sapiens P35499 ENSG00000007314 |
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Protein: Sodium channel alpha subunit Description: Sodium channel protein type 5 subunit alpha Organism : Homo sapiens Q14524 ENSG00000183873 |
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|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 9 subunit alpha Organism : Homo sapiens Q15858 ENSG00000169432 |
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Protein: Sodium channel alpha subunit Description: Sodium channel protein type 2 subunit alpha Organism : Homo sapiens Q99250 ENSG00000136531 |
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Protein: Sodium channel alpha subunit Description: Sodium channel protein type 3 subunit alpha Organism : Homo sapiens Q9NY46 ENSG00000153253 |
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|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 11 subunit alpha Organism : Homo sapiens Q9UI33 ENSG00000168356 |
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|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 8 subunit alpha Organism : Homo sapiens Q9UQD0 ENSG00000196876 |
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|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 10 subunit alpha Organism : Homo sapiens Q9Y5Y9 ENSG00000185313 |
|
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Environmental Exposure
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 6367 |
| ChEMBL | CHEMBL741 |
| DrugBank | DB00555 |
| DrugCentral | 1540 |
| FDA SRS | U3H27498KS |
| Human Metabolome Database | HMDB0014695 |
| Guide to Pharmacology | 2622 |
| KEGG | D00354 |
| PharmGKB | PA450164 |
| PubChem | 3878 |
| SureChEMBL | SCHEMBL35439 |
| ZINC | ZINC000000013156 |
CONTENTS
