Molecule Details
| InChIKey | SIFNOOUKXBRGGB-AREMUKBSSA-N |
|---|---|
| Canonical SMILES | CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06374 |
|---|---|
| Drug Name | Elacestrant |
| CAS Number | 722533-56-4 |
| Groups | approved investigational |
| ATC Codes | L02BA04 |
| Description | Elacestrant is a non-steroidal small molecule and an estrogen receptor (ER) antagonist.[A256838,L44918] In January 2023, it was approved by the FDA for the treatment of ER-positive, HER2-negative, ESR1-mutated advanced or metastatic breast cancer.[L44918,L44948] It received a similar approval in the... |
Categories: Anti-Estrogens Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Endocrine Therapy Estrogen Receptor Antagonists Estrogens, Non-Steroidal Hormone Antagonists and Related Agents Naphthalenes OATP2B1/SLCO2B1 substrates P-glycoprotein inhibitors Selective Estrogen Receptor Degraders
Cross-references: BindingDB: 349630 CHEMBL4297509 ChemSpider: 57583807 PDB: I0V PharmGKB: PA166313327 RxCUI: 2628469 Wikipedia: Elacestrant
Target Activities (2)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P03372 | ESR1 | Estrogen receptor | antagonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | substrate | transporters |