Trade Names: | |
Synonyms: | |
Status: | Approved (2011) |
Entry Type: | Small molecule |
Molecule Category: | Salt Prodrug |
UNII: | EM5OCB9YJ6 |
Parent Compound: | ABIRATERONE |
InChI Key | UVIQSJCZCSLXRZ-UBUQANBQSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C26H33NO2 |
Molecular Weight | 391.56 |
AlogP | 5.97 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 39.19 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 29.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Cytochrome P450 17A1 inhibitor | FDA |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 17
Cytochrome P450 family 17A
Cytochrome P450 17A1
|
- | 17-18 | - | - | - | |
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
|
17050 | - | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
Neoplasms | 4 | D009369 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 4 | D064129 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Adrenal Hyperplasia, Congenital | 2 | D000312 | ClinicalTrials |
Salivary Gland Neoplasms | 2 | D012468 | ClinicalTrials |
Adrenal Hyperplasia, Congenital | 2 | D000312 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Renal Insufficiency | 1 | D051437 | ClinicalTrials |
Liver Diseases | 1 | D008107 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 68639 |
ChEMBL | CHEMBL271227 |
DrugCentral | 4176 |
EPA CompTox | DTXSID3049043 |
FDA SRS | EM5OCB9YJ6 |
Guide to Pharmacology | 9288 |
KEGG | D09701 |
PubChem | 9821849 |
SureChEMBL | SCHEMBL93715 |
ZINC | ZINC000003809191 |