| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1974) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN Prodrug |
| UNII: | WI93Z9138A |
| Parent Compound: | TESTOSTERONE |
| InChI Key | PDMMFKSKQVNJMI-BLQWBTBKSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H32O3 |
| Molecular Weight | 344.5 |
| AlogP | 4.84 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.37 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 25.0 |
| Primary Target | |
|---|---|
| Androgen receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 17
Cytochrome P450 family 17A
Cytochrome P450 17A1
|
- | 56 | - | - | - | |
|
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
|
3 | 18 | - | 0 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 121 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Atrophic Vaginitis | 1 | D059268 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 57-85-2 |
| ChEBI | 9466 |
| ChEMBL | CHEMBL1170 |
| DrugBank | DB01420 |
| DrugCentral | 4146 |
| EPA CompTox | DTXSID9036515 |
| FDA SRS | WI93Z9138A |
| Human Metabolome Database | HMDB0015489 |
| Guide to Pharmacology | 7100 |
| KEGG | C08158 |
| PharmGKB | PA164751373 |
| PubChem | 5995 |
| SureChEMBL | SCHEMBL4044 |
| ZINC | ZINC000000490791 |