Molecule Details
| InChIKey | BURHGPHDEVGCEZ-KJGLQBJMSA-N |
|---|---|
| Compound Name | Brilanestrant |
| Canonical SMILES | CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.53 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12253 |
|---|---|
| Drug Name | Brilanestrant |
| CAS Number | 1365888-06-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | ARN-810 has been used in trials studying the basic science and treatment of Breast Cancer. |
Categories: Acids, Carbocyclic Heterocyclic Compounds, Fused-Ring Pyrazoles
Cross-references: BindingDB: 50090462 CHEMBL3581693 ChemSpider: 35308225 PDB: 7I0 PubChem:56941241 PubChem:347828528 Wikipedia: Brilanestrant ZINC: ZINC000114545220
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.1 | IC50 | ChEMBL;BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03372 | ESR1 | Estrogen receptor | modulator | targets |