Trade Names: | |
Synonyms: | |
Status: | Approved (2012) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | L02BB04 |
UNII: | 93T0T9GKNU |
InChI Key | WXCXUHSOUPDCQV-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C21H16F4N4O2S |
Molecular Weight | 464.44 |
AlogP | 3.99 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 76.44 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 32.0 |
Action | Mechanism of Action | Reference |
---|---|---|
ANTAGONIST | Androgen Receptor antagonist | Expert |
Primary Target | |
---|---|
Androgen receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | 130 | - | - | - | |
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
|
49-1100 | 21-5600 | - | 28-3641 | 20-95 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
Neoplasms | 4 | D009369 | ClinicalTrials |
Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
Neoplasms | 4 | D009369 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 4 | D064129 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
Carcinoma | 2 | D002277 | ClinicalTrials |
Uterine Neoplasms | 2 | D014594 | ClinicalTrials |
Lymphoma, Mantle-Cell | 2 | D020522 | ClinicalTrials |
Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
Liver Diseases | 1 | D008107 | ClinicalTrials |
Kidney Diseases | 1 | D007674 | ClinicalTrials |
Carcinoma, Renal Cell | 0 | D002292 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 915087-33-1 |
ChEBI | 68534 |
ChEMBL | CHEMBL1082407 |
DrugBank | DB08899 |
DrugCentral | 4628 |
FDA SRS | 93T0T9GKNU |
Guide to Pharmacology | 6812 |
KEGG | D10218 |
PubChem | 15951529 |
SureChEMBL | SCHEMBL189749 |
ZINC | ZINC000034806477 |