| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1997) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 4F86W47BR6 |
| Parent Compound: | RALOXIFENE |
Structure
| InChI Key | BKXVVCILCIUCLG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C28H28ClNO4S |
| Molecular Weight | 510.06 |
| AlogP | 6.08 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 70.0 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Surface antigen
|
- | - | 22000 | - | - | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 3
Nuclear hormone receptor subfamily 3 group A
Nuclear hormone receptor subfamily 3 group A member 1
|
- | 1-22 | - | 0 | - | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 3
Nuclear hormone receptor subfamily 3 group A
Nuclear hormone receptor subfamily 3 group A member 2
|
- | 43-341 | - | 3 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Breast Neoplasms | 4 | D001943 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 50740 |
| ChEMBL | CHEMBL1116 |
| EPA CompTox | DTXSID1034181 |
| FDA SRS | 4F86W47BR6 |
| Guide to Pharmacology | 2820 |
| KEGG | C07228 |
| PDB | RAL |
| PubChem | 54900 |
| SureChEMBL | SCHEMBL19077 |
| ZINC | ZINC00538275 |
CONTENTS