Molecule Details
| InChIKey | WXCXUHSOUPDCQV-UHFFFAOYSA-N |
|---|---|
| Compound Name | Enzalutamide |
| Canonical SMILES | CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.91 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08899 |
|---|---|
| Drug Name | Enzalutamide |
| CAS Number | 915087-33-1 |
| Groups | approved investigational |
| ATC Codes | L02BB04 |
| Description | Enzalutamide is an androgen receptor (AR) inhibitor for the treatment of castration-resistant prostate cancer (CRPC), both metastatic and non-metastatic.[L40639] It is a second-generation antiandrogen agent that the FDA approved on August 31, 2012.[L40639, A252667] Although androgen deprivation ther... |
Categories: Amides Androgen Receptor Antagonists Androgen Receptor Inhibitors Antiandrogens Antiandrogens, non-steroidal Antineoplastic Agents Antineoplastic and Immunomodulating Agents Benzene Derivatives Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inducers (moderate) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (moderate) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inducers (strong) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strong) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inducers Cytochrome P-450 CYP3A5 Inducers (strong) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Endocrine Therapy Hormone Antagonists and Related Agents Hydantoins Imidazoles Imidazolidines P-glycoprotein inhibitors Thyroxine-binding globulin substrates
Cross-references: BindingDB: 50425732 ChEBI: 68534 CHEMBL1082407 ChemSpider: 13093347 Drugs Product Database (DPD): 22083 D10218 PubChem:15951529 PubChem:175427141 RxCUI: 1307298 Wikipedia: Enzalutamide ZINC: ZINC000034806477
Target Activities (2)
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inducer | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P10275 | AR | Androgen receptor | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |