| Synonyms | |
| Status | |
| Molecule Category | Free-form | 
| ATC | L02BX03 | 
| UNII | G819A456D0 | 
| EPA CompTox | DTXSID80879993 | 
| InChI Key | GZOSMCIZMLWJML-VJLLXTKPSA-N | |
|---|---|---|
| Smiles | ||
| InChI |  | 
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C24H31NO | |
| Molecular Weight | 349.52 | |
| AlogP | 5.4 | |
| Hydrogen Bond Acceptor | 2.0 | |
| Hydrogen Bond Donor | 1.0 | |
| Number of Rotational Bond | 1.0 | |
| Polar Surface Area | 33.12 | |
| Molecular species | NEUTRAL | |
| Aromatic Rings | 1.0 | |
| Heavy Atoms | 26.0 | 
| Mechanism of Action | Action | Reference | |
|---|---|---|---|
| Androgen Receptor antagonist | ANTAGONIST | PubMed PubMed PubMed PubMed PubMed | 
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
| Enzyme
                                        
                                        
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        Cytochrome P450
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 1
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 1A
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 1A2 | - | - | - | - | 34-92.5 | ||
| Enzyme
                                        
                                        
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        Cytochrome P450
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 17
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 17A
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 17A1 | - | 2.9-800 | - | - | 74-100 | ||
| Enzyme
                                        
                                        
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        Cytochrome P450
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 2
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 2B
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 2B6 | - | - | - | - | 2-11 | ||
| Enzyme
                                        
                                        
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        Cytochrome P450
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 2
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 2C
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 2C19 | - | - | - | - | 3-91.6 | ||
| Enzyme
                                        
                                        
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        Cytochrome P450
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 2
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 2C
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 2C9 | - | - | - | - | 17-82.5 | ||
| Enzyme
                                        
                                        
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        Cytochrome P450
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 2
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 2D
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 2D6 | - | - | - | - | 7-78.5 | ||
| Enzyme
                                        
                                        
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        Cytochrome P450
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 21
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 21A
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 21A2 | - | 32.4 | - | - | - | ||
| Enzyme
                                        
                                        
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        Cytochrome P450
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 3
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 family 3A
                                        
                                        
                                        
                                         
                                         
                                        
                                        
                                        
                                        
                                        
                                            Cytochrome P450 3A4 | - | 230 | - | - | 4-27 | 
| Protein: Cytochrome P450 17A1 Description: Steroid 17-alpha-hydroxylase/17,20 lyase Organism : Homo sapiens P05093 ENSG00000148795 | ||||
| Protein: Androgen Receptor Description: Androgen receptor Organism : Homo sapiens P10275 ENSG00000169083 | ||||
| Resources | Reference | |
|---|---|---|
| ChEBI | 68642 | |
| ChEMBL | CHEMBL254328 | |
| DrugBank | DB05812 | |
| FDA SRS | G819A456D0 | |
| Guide to Pharmacology | 6745 | |
| PDB | AER | |
| PharmGKB | PA166123407 | |
| PubChem | 132971 | |
| SureChEMBL | SCHEMBL61108 | |
| ZINC | ZINC000003797541 |