Trade Names: | |
Synonyms: | |
Status: | Approved (1989) |
Entry Type: | Small molecule |
Molecule Category: | Parent Prodrug |
ATC: | L02BB01 |
UNII: | 76W6J0943E |
InChI Key | MKXKFYHWDHIYRV-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C11H11F3N2O3 |
Molecular Weight | 276.21 |
AlogP | 3.21 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 72.24 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 19.0 |
Property Name | Value | Unit | Method |
---|---|---|---|
log P (octanol-water) | 3.35 | - | EXP |
Henry's Law Constant | 3.73E-10 | atm-m3/mole | EST |
Atmospheric OH Rate Constant | 2.75E-12 | cm3/molecule-sec | EST |
Water Solubility | 9.450 | mg/L | EST |
Vapor Pressure | 1.11E-06 | mm Hg | EST |
Action | Mechanism of Action | Reference |
---|---|---|
ANTAGONIST | Androgen Receptor antagonist | FDA |
Primary Target | |
---|---|
Androgen receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | 600-14000 | - | |
Enzyme
Oxidoreductase
|
- | - | - | - | 11-19 | |
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
|
- | 154-4200 | - | 1300-3700 | 12-20 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 7-131 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 34 | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 50000-75000 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
Polycystic Ovary Syndrome | 2 | D011085 | ClinicalTrials |
Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
Adrenal Hyperplasia, Congenital | 2 | D000312 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 13311-84-7 |
ChEBI | 5132 |
ChEMBL | CHEMBL806 |
DrugBank | DB00499 |
DrugCentral | 1223 |
EPA CompTox | DTXSID7032004 |
FDA SRS | 76W6J0943E |
Human Metabolome Database | HMDB0014642 |
Guide to Pharmacology | 6943 |
KEGG | C07653 |
PharmGKB | PA449685 |
PubChem | 3397 |
SureChEMBL | SCHEMBL3934 |
ZINC | ZINC000003812944 |