Molecule Details
| InChIKey | MKXKFYHWDHIYRV-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00499 |
|---|---|
| Drug Name | Flutamide |
| CAS Number | 13311-84-7 |
| Groups | approved investigational |
| ATC Codes | L02BB01 |
| Description | An antiandrogen with about the same potency as cyproterone in rodent and canine species. |
Categories: Amides Amines Androgen Receptor Antagonists Androgen Receptor Inhibitors Anilides Aniline Compounds Antiandrogens Antiandrogens, non-steroidal Antineoplastic Agents Antineoplastic Agents, Hormonal Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Endocrine Therapy Hormone Antagonists Hormone Antagonists and Related Agents Hormones, Hormone Substitutes, and Hormone Antagonists Methemoglobinemia Associated Agents
Cross-references: BindingDB: 50131270 ChEBI: 5132 CHEMBL806 ChemSpider: 3280 Drugs Product Database (DPD): 1847 C07653 D00586 PDB: HFT PharmGKB: PA449685 PubChem:3397 PubChem:46508874 RxCUI: 4508 Therapeutic Targets Database: DAP000301 Wikipedia: Flutamide ZINC: ZINC000003812944
Target Activities (2)
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | substrate | enzymes |
| P35869 | AHR | Aryl hydrocarbon receptor | agonist | targets |
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | antagonist | targets |
| P10275 | AR | Androgen receptor | antagonist | targets |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | substrate | transporters |