| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Salt-form |
| UNII | XH8T8T6WZH |
| EPA CompTox | DTXSID2048903 |
| Parent Compound: | COCAINE |
| InChI Key | PIQVDUKEQYOJNR-VZXSFKIWSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H22ClNO4 |
| Molecular Weight | 339.82 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 55.84 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 22.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Sodium channel alpha subunit blocker | BLOCKER | FDA |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 89.1-404 | - | 46.3-306 | - |
|
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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| Resources | Reference |
|---|---|
| ChEBI | 613010 |
| ChEMBL | CHEMBL529437 |
| FDA SRS | XH8T8T6WZH |
| PubChem | 656832 |
| SureChEMBL | SCHEMBL186755 |