ESTRADIOL-VALERATE (BRD-A39747742)
Overview
- pert_id
- BRD-A39747742
- Name
- estradiol-valerate
- Synonyms
- S3149
- Collection
- BIOA
- Summary
- Estradiol is a synthetic ester used to treat menopausal symptoms and hormone deficiencies.
- MOA
- estrogen receptor agonist
- Target(s)
- ESR1
- Indication(s)
- prostate cancer, hypoestrogenism, menopause, vaginal atrophy
- Phase
- Launched
- Canonical SMILES
- CCCCC(=O)O[C@H]1CCC2C3CCc4cc(O)ccc4C3CC[C@]12C
- InChI key
- InChIKey=RSEPBGGWRJCQGY-ZZSVNSIZSA-N
- InChI string
- InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18?,19?,20?,21-,23-/m0/s1
- Molecular formula
- C23H32O3
- Molecular weight
- 356.498
External links
- PubChem
- 163332
- Wikipedia
- http://en.wikipedia.org/wiki/Estradiol_valerate
- SEP-L1000
- BRD-A39747742
Predicted MOAs
| MOA | Probability |
|---|---|
| estrogen receptor agonist | 0.9638 |
| retinoid receptor agonist | 0.0052 |
| cyclooxygenase inhibitor | 0.0044 |
| tubulin polymerization inhibitor | 0.0033 |
| glucocorticoid receptor agonist | 0.0020 |
| MEK inhibitor | 0.0015 |
| protein synthesis inhibitor | 0.0015 |
| HDAC inhibitor | 0.0014 |
| topoisomerase inhibitor | 0.0014 |
| adrenergic receptor antagonist | 0.0012 |
Chemical structure
