| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2016) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 5NF5D4OPCI |
| Parent Compound: | TETRACAINE |
| InChI Key | PPWHTZKZQNXVAE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H25ClN2O2 |
| Molecular Weight | 300.83 |
| AlogP | 2.62 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 41.57 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| BLOCKER | Sodium channel alpha subunit blocker |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 29.79 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -36.11--0.61 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 61.91 |
| Resources | Reference |
|---|---|
| ChEBI | 9469 |
| ChEMBL | CHEMBL1255654 |
| EPA CompTox | DTXSID6042448 |
| FDA SRS | 5NF5D4OPCI |
| PubChem | 16057735 |
| SureChEMBL | SCHEMBL24370 |