| Synonyms: | |
| Status: | Approved (1997) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| ATC: | L02BA02 |
| UNII: | 7NFE54O27T |
Structure
| InChI Key | XFCLJVABOIYOMF-QPLCGJKRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H28ClNO |
| Molecular Weight | 405.97 |
| AlogP | 6.22 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 12.47 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | - | 4125 | - | |
|
Unclassified protein
|
63-63 | - | 16000-16000 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Fractures, Bone | 3 | D050723 | ClinicalTrials |
| Mastodynia | 3 | D059373 | ClinicalTrials |
| Prostatic Intraepithelial Neoplasia | 3 | D019048 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
| Fibromatosis, Aggressive | 2 | D018222 | ClinicalTrials |
| Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89778-26-7 |
| ChEBI | 9635 |
| ChEMBL | CHEMBL1655 |
| DrugBank | DB00539 |
| DrugCentral | 2709 |
| EPA CompTox | DTXSID3023689 |
| FDA SRS | 7NFE54O27T |
| Human Metabolome Database | HMDB0014679 |
| Guide to Pharmacology | 4325 |
| KEGG | C08166 |
| PDB | T0R |
| PharmGKB | PA451731 |
| PubChem | 3005573 |
| SureChEMBL | SCHEMBL7465 |
| ZINC | ZINC000012404516 |
CONTENTS