Molecule Details
| InChIKey | PROQIPRRNZUXQM-ZXXIGWHRSA-N |
|---|---|
| Canonical SMILES | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04573 |
|---|---|
| Drug Name | Estriol |
| CAS Number | 50-27-1 |
| Groups | approved investigational vet_approved |
| ATC Codes | G03CC06 G03CA04 |
| Description | A hydroxylated metabolite of estradiol or estrone that has a hydroxyl group at C3-beta, 16-alpha, and 17-beta position. Estriol is a major urinary estrogen. During pregnancy, large amount of estriol is produced by the placenta. Isomers with inversion of the hydroxyl group or groups are called epiest... |
Categories: Estradiol Congeners Estranes Estrenes Estrogens Fused-Ring Compounds Genito Urinary System and Sex Hormones Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Natural and Semisynthetic Estrogens, Plain P-glycoprotein inducers P-glycoprotein substrates Sex Hormones and Modulators of the Genital System Steroids Thyroxine-binding globulin inducers
Cross-references: BindingDB: 50410506 ChEBI: 27974 CHEMBL193482 ChemSpider: 5553 C05141 D00185 PDB: ESL PharmGKB: PA164769104 PubChem:5756 PubChem:46505881 RxCUI: 4094 Therapeutic Targets Database: DAP001019 Wikipedia: Estriol ZINC: ZINC000003815418
Target Activities (2)
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04278 | SHBG | Sex hormone-binding globulin | activator | targets |
| P03372 | ESR1 | Estrogen receptor | agonist | targets |
| Q92731 | ESR2 | Estrogen receptor beta | agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |