Trade Names | |
Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | N03AX07 |
UNII | PAI7J52V09 |
EPA CompTox | DTXSID6023442 |
InChI Key | XPFRXWCVYUEORT-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C9H10N2O2 | |
Molecular Weight | 178.19 | |
AlogP | 0.42 | |
Hydrogen Bond Acceptor | 2.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 2.0 | |
Polar Surface Area | 72.19 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 13.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
Sodium channel alpha subunit blocker | BLOCKER | Expert |
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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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 105 |
Resources | Reference | |
---|---|---|
ChEBI | 8049 | |
ChEMBL | CHEMBL918 | |
DrugBank | DB01121 | |
DrugCentral | 2114 | |
FDA SRS | PAI7J52V09 | |
Human Metabolome Database | HMDB0015253 | |
Guide to Pharmacology | 7265 | |
KEGG | C07428 | |
PharmGKB | PA164745309 | |
PubChem | 4753 | |
SureChEMBL | SCHEMBL35118 | |
ZINC | ZINC000000001916 |