| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Salt-form |
| UNII | 95URV01IDQ |
| EPA CompTox | DTXSID1044435 |
| Parent Compound: | PROCAINE |
Structure
| InChI Key | HCBIBCJNVBAKAB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H21ClN2O2 |
| Molecular Weight | 272.78 |
| AlogP | 1.77 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 55.56 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
Metabolites Network
Pharmacology
| Mechanism of Action | Action | Reference |
|---|---|---|
| Sodium channel alpha subunit blocker | BLOCKER | ISBN PubMed PubMed PubMed Wikipedia |
| 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
|
- | - | - | - | 104.07-104.23 |
Cricetulus griseus
Target Conservation
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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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Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51-05-8 |
| ChEBI | 8431 |
| ChEMBL | CHEMBL1200841 |
| FDA SRS | 95URV01IDQ |
| KEGG | C07894 |
| PubChem | 5795 |
| SureChEMBL | SCHEMBL27720 |
CONTENTS
