Molecule Details
| InChIKey | VWUXBMIQPBEWFH-WCCTWKNTSA-N |
|---|---|
| Compound Name | Fulvestrant |
| Canonical SMILES | C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.57 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00947 |
|---|---|
| Drug Name | Fulvestrant |
| CAS Number | 129453-61-8 |
| Groups | approved investigational |
| ATC Codes | L02BA03 |
| Description | Fulvestrant is a drug treatment of hormone receptor (HR)-positive metastatic breast cancer in post-menopausal women with disease progression following anti-estrogen therapy. It is an estrogen receptor antagonist with no agonist effects, which works both by down-regulating and by degrading the estrog... |
Categories: Anti-Estrogens Antineoplastic Agents Antineoplastic Agents, Hormonal Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Endocrine Therapy Estradiol Congeners Estranes Estrenes Estrogen Antagonists Estrogen Receptor Antagonists Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormone Antagonists Hormone Antagonists and Related Agents Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Selective Estrogen Receptor Modulators Steroids UGT1A1 Substrates
Cross-references: BindingDB: 50238741 ChEBI: 31638 CHEMBL1358 ChemSpider: 94553 Drugs Product Database (DPD): 13276 Guide to Pharmacology: 1015 IUPHAR: 1015 D01161 PharmGKB: PA164747170 PubChem:17756771 PubChem:46508664 RxCUI: 282357 Therapeutic Targets Database: DAP000319 Wikipedia: Fulvestrant
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 9.7 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | pIC50 | TTD_MultiTarget |
| P11474 | ESRRA | Homo sapiens | Human | PF00104 PF00105 | 8.7 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.2 | IC50 | ChEMBL;BindingDB |
| P34913 | EPHX2 | Homo sapiens | Human | PF00561 PF00702 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q96RI1 | NR1H4 | Homo sapiens | Human | PF00104 PF00105 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 9.7 | pIC50 | TTD_MultiTarget |