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 |