Molecule Details
| InChIKey | JICOGKJOQXTAIP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pipendoxifene |
| Canonical SMILES | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.36 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05414 |
|---|---|
| Drug Name | Pipendoxifene |
| CAS Number | 198480-55-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | ER modulator, ERA-923(Pipendoxifene) is a estrogen receptor modulator being evaluated for the treatment of breast cancer. Pipendoxifene is a new 2-phenyl indole selective estrogen receptor modulators (SERM )that exhibits an excellent preclinical pharmacological profile and was selected for further d... |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50099587 CHEMBL44426 ChemSpider: 4938287 PubChem:6433099 PubChem:175426998 Wikipedia: Selective_estrogen_receptor_modulator ZINC: ZINC000000602799
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.4 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 7.4 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 7.4 | pIC50 | TTD_MultiTarget |