Molecule Details
| InChIKey | XIESSJVMWNJCGZ-VKJFTORMSA-N |
|---|---|
| Compound Name | Erteberel |
| Canonical SMILES | Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.46 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07933 |
|---|---|
| Drug Name | Erteberel |
| CAS Number | 533884-09-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Erteberel is an estrogen receptor beta agonist that has been used in trials studying the treatment of Benign Prostatic Hyperplasia. |
Categories: Heterocyclic Compounds, Fused-Ring Pyrans
Cross-references: BindingDB: 19968 CHEMBL278703 ChemSpider: 8461628 D09899 PDB: I0G PubChem:10286159 PubChem:99444404 Wikipedia: Erteberel ZINC: ZINC000012353762
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 9.8 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 9.7 | Ki | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.6 | Ki | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 9.8 | pIC50 | TTD_MultiTarget |