Molecule Details
| InChIKey | JJKOTMDDZAJTGQ-DQSJHHFOSA-N |
|---|---|
| Compound Name | Idoxifene |
| Canonical SMILES | CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.12 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19895 |
|---|---|
| Drug Name | Idoxifene |
| CAS Number | 116057-75-1 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Idoxifene is a small molecule drug. Idoxifene has a monoisotopic molecular weight of 523.14 Da. |
Categories: Benzene Derivatives Benzylidene Compounds Estrogen Antagonists Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Stilbenes
Cross-references: BindingDB: 50219403 ChEBI: 188870 CHEMBL6318 ZINC: ZINC000001533058
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.1 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.1 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.1 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03372 | ESR1 | Estrogen receptor | modulator | targets |