Molecule Details
| InChIKey | UBVZQGOVTLIHLH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Topiroxostat |
| Canonical SMILES | N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01685 |
|---|---|
| Drug Name | Topiroxostat |
| CAS Number | 577778-58-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Topiroxostat is a selective xanthine oxidase inhibitor developed for treatment and management of hyperuricemia and gout. Xanthine oxidase, or xanthine oxidoreductase (XOR), regulates purine metabolism, and inhibition of the enzyme results in efficacious reduction of serum urate levels. Xanthine oxid... |
Categories: BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Drugs that are Mainly Renally Excreted Enzyme Inhibitors OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors UGT1A9 Substrates
Cross-references: BindingDB: 50311275 CHEMBL1078685 ChemSpider: 4450517 PDB: FYX PubChem:5288320 PubChem:46508374 Wikipedia: Topiroxostat ZINC: ZINC000013536586
Target Activities (2)
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P47989 | XDH | Xanthine dehydrogenase/oxidase | inhibitor | targets |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |