| Synonyms: | |
| Status: | Approved (2020) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A08AA02 |
| UNII: | 2DS058H2CF |
Structure
| InChI Key | DBGIVFWFUFKIQN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16F3N |
| Molecular Weight | 231.26 |
| AlogP | 3.25 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 12.03 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
108 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Epilepsies, Myoclonic | 3 | D004831 | ClinicalTrials |
| Spasms, Infantile | 2 | D013036 | ClinicalTrials |
| Cocaine-Related Disorders | 1 | D019970 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 458-24-2 |
| ChEBI | 5000 |
| ChEMBL | CHEMBL87493 |
| DrugBank | DB00574 |
| DrugCentral | 1150 |
| EPA CompTox | DTXSID4023044 |
| FDA SRS | 2DS058H2CF |
| Guide to Pharmacology | 4613 |
| KEGG | C06996 |
| PharmGKB | PA164747936 |
| PubChem | 3337 |
| SureChEMBL | SCHEMBL16215 |
CONTENTS