Molecule Details
| InChIKey | JKKFKPJIXZFSSB-CBZIJGRNSA-N |
|---|---|
| Canonical SMILES | C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.84 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04574 |
|---|---|
| Drug Name | Estrone sulfate |
| CAS Number | 481-97-0 |
| Groups | approved |
| ATC Codes | nan |
| Description | Estrone sulfate (as estropipate) is a form of estrogen. It has several uses such as: alleviate symptoms of menopause as hormone replacement therapy, treatment some types of infertility, treatment of some conditions leading to underdevelopment of female sexual characteristics, treatment of vaginal at... |
Categories: 17-Ketosteroids Adrenal Cortex Hormones Contraceptive Agents, Hormonal Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Estradiol Congeners Estranes Estrenes Estrogens Estrogens, Conjugated (USP) Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormonal Contraceptives for Systemic Use Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hyperglycemia-Associated Agents Ketosteroids MATE 1 Substrates MATE 2 Substrates MATE substrates NTCP Inhibitors Reproductive Control Agents Steroids Thyroxine-binding globulin inducers
Cross-references: BindingDB: 50366524 ChEBI: 17474 CHEMBL494753 ChemSpider: 2272513 Drugs Product Database (DPD): 4601 C02538 PharmGKB: PA165958342 PubChem:3001028 PubChem:46508976 Wikipedia: Estropipate ZINC: ZINC000003876186
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P04278 | SHBG | Sex hormone-binding globulin | binder | carriers |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P03372 | ESR1 | Estrogen receptor | agonist | targets |
| Q92731 | ESR2 | Estrogen receptor beta | agonist | targets |
| Q14973 | SLC10A1 | Hepatic sodium/bile acid cotransporter | inhibitor | transporters |
| Q86VL8 | SLC47A2 | Multidrug and toxin extrusion protein 2 | substrate | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | substrate | transporters |