| Synonyms: | |
| Status: | Approved (2005) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C05AD02 |
| UNII: | 0619F35CGV |
| InChI Key | GKCBAIGFKIBETG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H24N2O2 |
| Molecular Weight | 264.37 |
| 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
Hydrolase
|
- | - | - | - | -4.687-0.593 | |
|
Enzyme
Oxidoreductase
|
- | 317 | - | - | - | |
|
Enzyme
Transferase
|
- | - | - | - | 2.35 | |
|
Ion channel
Voltage-gated ion channel
Cyclic nucleotide-regulated channel
|
- | - | 6800-12000 | - | - | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Two-pore domain potassium channel
|
- | 668000 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 56-7510 | - | 500-12000 | 72 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | 3268 | - | 1712 | - | |
|
Membrane receptor
|
- | 1673 | - | 1712 | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 512900 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cataract | 3 | D002386 | ClinicalTrials |
| Shoulder Impingement Syndrome | 2 | D019534 | ClinicalTrials |
| Skin Diseases | 2 | D012871 | ClinicalTrials |
| Neuralgia, Postherpetic | 2 | D051474 | ClinicalTrials |
| Tendinopathy | 2 | D052256 | ClinicalTrials |
| Wounds and Injuries | 2 | D014947 | ClinicalTrials |
| Carpal Tunnel Syndrome | 2 | D002349 | ClinicalTrials |
| Myofascial Pain Syndromes | 2 | D009209 | ClinicalTrials |
| Osteoarthritis, Knee | 1 | D020370 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-24-6 |
| ChEBI | 9468 |
| ChEMBL | CHEMBL698 |
| DrugBank | DB09085 |
| DrugCentral | 2610 |
| EPA CompTox | DTXSID1043883 |
| FDA SRS | 0619F35CGV |
| KEGG | C07526 |
| PDB | TE4 |
| PubChem | 5411 |
| SureChEMBL | SCHEMBL34714 |
| ZINC | ZINC000001530811 |