Trade Names | |
Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | N05AA05 |
UNII | RO16TQF95Y |
EPA CompTox | DTXSID9023704 |
InChI Key | XSCGXQMFQXDFCW-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C18H19F3N2S | |
Molecular Weight | 352.43 | |
AlogP | 5.26 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 4.0 | |
Polar Surface Area | 6.48 | |
Molecular species | BASE | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 24.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | 7400 | - | - | 45 | ||
Enzyme
Oxidoreductase
|
- | - | - | 30200 | 12 | ||
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 39010 | - | 15700 | - | ||
Transporter
|
- | 39010 | - | 15700 | - |
Resources | Reference | |
---|---|---|
ChEBI | 9711 | |
ChEMBL | CHEMBL570 | |
DrugBank | DB00508 | |
DrugCentral | 2742 | |
FDA SRS | RO16TQF95Y | |
Human Metabolome Database | HMDB0014650 | |
Guide to Pharmacology | 4330 | |
PharmGKB | PA451773 | |
PubChem | 5568 | |
SureChEMBL | SCHEMBL44085 | |
ZINC | ZINC000000538507 |