Trade Names: | |
Synonyms: | |
Status: | Approved (1996) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | L02BB02 |
UNII: | 51G6I8B902 |
InChI Key | XWXYUMMDTVBTOU-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H10F3N3O4 |
Molecular Weight | 317.22 |
AlogP | 2.45 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 92.55 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 22.0 |
Action | Mechanism of Action | Reference |
---|---|---|
ANTAGONIST | Androgen Receptor antagonist | DailyMed |
Primary Target | |
---|---|
Androgen receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | - | - | - | 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
|
- | 9-600 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 117 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 63612-50-0 |
ChEBI | 7573 |
ChEMBL | CHEMBL1274 |
DrugBank | DB00665 |
DrugCentral | 1933 |
EPA CompTox | DTXSID3034165 |
FDA SRS | 51G6I8B902 |
Human Metabolome Database | HMDB0014803 |
Guide to Pharmacology | 2864 |
KEGG | C08164 |
PharmGKB | PA450632 |
PubChem | 4493 |
SureChEMBL | SCHEMBL12670 |
ZINC | ZINC000003874498 |