| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AG03 |
| UNII: | 60GCX7Y6BH |
| InChI Key | LPEPZBJOKDYZAD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H10F3NO2 |
| Molecular Weight | 281.23 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 20.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 370-3140 | - | - | 25-64 | |
|
Enzyme
|
- | 50-8630 | - | - | 25-64 | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Two-pore domain potassium channel
|
100000 | - | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Transient receptor potential channel
|
6918-24000 | 70000 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 27 | |
|
Secreted protein
|
- | 2900 | 30 | - | 98 | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 3
Nuclear hormone receptor subfamily 3 group C
Nuclear hormone receptor subfamily 3 group C member 4
|
- | - | - | - | 42 | |
|
Transcription factor
|
- | 54000 | 73000-84000 | - | 42 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 211 | |
|
Transporter
Primary active transporter
Oxidoreduction-driven transporters
|
- | - | - | - | 18 |
| Resources | Reference |
|---|---|
| ChEBI | 42638 |
| ChEMBL | CHEMBL23588 |
| DrugBank | DB02266 |
| DrugCentral | 1193 |
| EPA CompTox | DTXSID7023063 |
| FDA SRS | 60GCX7Y6BH |
| Guide to Pharmacology | 2447 |
| KEGG | C13038 |
| PDB | FLF |
| PharmGKB | PA166049190 |
| PubChem | 3371 |
| SureChEMBL | SCHEMBL17497 |
| ZINC | ZINC000000086535 |