Synonyms: | |
Status: | Approved (2020) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | A08AA02 |
UNII: | 2DS058H2CF |
InChI Key | DBGIVFWFUFKIQN-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
108 | - | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Epilepsies, Myoclonic | 3 | D004831 | ClinicalTrials |
Spasms, Infantile | 2 | D013036 | ClinicalTrials |
Cocaine-Related Disorders | 1 | D019970 | ClinicalTrials |
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 |