Molecule Details
| InChIKey | TXUZVZSFRXZGTL-QPLCGJKRSA-N |
|---|---|
| Compound Name | 4-Hydroxytamoxifen |
| Canonical SMILES | CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.9 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04468 |
|---|---|
| Drug Name | Afimoxifene |
| CAS Number | 68392-35-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Afimoxifene (4-Hydroxytamoxifen, trade name TamoGel) is a new estrogen inhibitor under investigation for a variety of estrogen-dependent conditions, including cyclic breast pain and gynecomastia. TamoGel is formulated using Enhanced Hydroalcoholic Gel (EHG) Technology. This technology enables percut... |
Categories: Androstanes Androstenes Androstenols Antineoplastic Agents Benzene Derivatives Benzylidene Compounds Estrogen Antagonists Estrogen Receptor Modulators Fused-Ring Compounds Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Receptors, Estrogen, agonists Selective Estrogen Receptor Modulators Steroids Stilbenes
Cross-references: BindingDB: 20608 ChEBI: 44616 CHEMBL489 ChemSpider: 395987 C05011 D06551 PDB: OHT PubChem:449459 PubChem:175426858 Wikipedia: Afimoxifene ZINC: ZINC000000902197
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 10.8 | pIC50 | TTD_MultiTarget |
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 9.1 | IC50 | BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.8 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.6 | IC50 | ChEMBL;BindingDB |
| P62508 | ESRRG | Homo sapiens | Human | PF00104 PF00105 | 7.9 | IC50 | BindingDB |
| O95718 | ESRRB | Homo sapiens | Human | PF00104 PF00105 | 6.2 | IC50 | BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 10.8 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | binder | targets |
| P04155 | P04155 | Trefoil factor 1 | binder | targets |
| P04278 | SHBG | Sex hormone-binding globulin | binder | targets |
| P62508 | ESRRG | Estrogen-related receptor gamma | binder | targets |
| Q92731 | ESR2 | Estrogen receptor beta | binder | targets |
| P11474 | ESRRA | Steroid hormone receptor ERR1 | inhibitor | targets |
| P03372 | ESR1 | Estrogen receptor | modulator | targets |