Molecule Details
| InChIKey | XZEUAXYWNKYKPL-WDYNHAJCSA-N |
|---|---|
| Compound Name | Ormeloxifene |
| Canonical SMILES | COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13310 |
|---|---|
| Drug Name | Ormeloxifene |
| CAS Number | 31477-60-8 |
| Groups | experimental |
| ATC Codes | G03XC04 |
| Description | Ormeloxifene is a third-generation selective estrogen receptor (ER) modulator. In India, ormeloxifene has been marketed since the 1990s as a non-hormonal, non-steroidal oral contraceptive taken once a week,[A251450] and it was later introduced for the treatment of dysfunctional uterine bleeding.[A25... |
Categories: Adrenal Cortex Hormones Benzopyrans Chromans Contraceptive Agents, Female Contraceptives, Oral Contraceptives, Postcoital Estrogen Antagonists Genito Urinary System and Sex Hormones Heterocyclic Compounds, Fused-Ring Hormonal Contraceptives for Systemic Use Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Pyrans Reproductive Control Agents Selective Estrogen Receptor Modulators Sex Hormones and Modulators of the Genital System
Cross-references: BindingDB: 50219398 CHEMBL301327 ChemSpider: 32935 Wikipedia: Ormeloxifene ZINC: ZINC000001730388
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.1 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 7.1 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 7.1 | pIC50 | TTD_MultiTarget |