Molecule Details
| InChIKey | BQSJTQLCZDPROO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Febuxostat |
| Canonical SMILES | Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04854 |
|---|---|
| Drug Name | Febuxostat |
| CAS Number | 144060-53-7 |
| Groups | approved investigational |
| ATC Codes | M04AA03 |
| Description | Febuxostat is a non-purine xanthine oxidase (XO) inhibitor.[A39743] In early 2008, febuxostat was granted marketing authorization by the European Commission for the treatment of chronic hyperuricemia and gout.[A230548] In the following year, the FDA for approved febuxostat for use in the chronic man... |
Categories: Antigout Preparations Antirheumatic Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Musculo-Skeletal System Photosensitizing Agents Preparations Inhibiting Uric Acid Production Sulfur Compounds Thiazoles UGT1A1 Substrates UGT1A3 substrates UGT1A9 Substrates UGT2B7 substrates Xanthine Oxidase Inhibitors
Cross-references: BindingDB: 50320491 ChEBI: 31596 CHEMBL1164729 ChemSpider: 118173 Drugs Product Database (DPD): 13271 D01206 PDB: TEI PharmGKB: PA165958521 PubChem:134018 PubChem:310264854 RxCUI: 73689 Wikipedia: Febuxostat ZINC: ZINC000000005423
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P47989 | XDH | Homo sapiens | Human | PF01315 PF03450 PF00941 PF00111 PF01799 PF02738 PF20256 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q9UNQ0 | ABCG2 | Homo sapiens | Human | PF01061 PF19055 PF00005 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.3 | IC50 | ChEMBL |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| P47989 | XDH | Xanthine dehydrogenase/oxidase | inhibitor | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |