Molecule Details
| InChIKey | VHOGYURTWQBHIL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Leflunomide |
| Canonical SMILES | Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.2 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01097 |
|---|---|
| Drug Name | Leflunomide |
| CAS Number | 75706-12-6 |
| Groups | approved investigational |
| ATC Codes | L04AK01 |
| Description | Leflunomide is a pyrimidine synthesis inhibitor belonging to the DMARD (disease-modifying antirheumatic drug) class of drugs, which are chemically and pharmacologically very heterogeneous. Leflunomide was approved by FDA and in many other countries (e.g., Canada, Europe) in 1999. |
Categories: Adjuvants Agents Causing Muscle Toxicity Antineoplastic and Immunomodulating Agents Antirheumatic Agents BCRP/ABCG2 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dihydroorotate dehydrogenase (DHODH) inhibitors Disease-modifying Antirheumatic Agents Enzyme Inhibitors Hepatotoxic Agents Immunologic Factors Immunosuppressive Agents Isoxazoles Selective Immunosuppressants
Cross-references: BindingDB: 50054601 ChEBI: 6402 CHEMBL960 ChemSpider: 3762 Drugs Product Database (DPD): 11980 C07905 D00749 PharmGKB: PA450192 PubChem:3899 PubChem:46506013 RxCUI: 27169 Therapeutic Targets Database: DAP000636 Wikipedia: Leflunomide ZINC: ZINC000000004840
Target Activities (2)
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P35869 | AHR | Aryl hydrocarbon receptor | agonist | targets |
| Q14289 | PTK2B | Protein-tyrosine kinase 2-beta | antagonist | targets |
| Q02127 | DHODH | Dihydroorotate dehydrogenase (quinone), mitochondrial | inhibitor | targets |
| Q08210 | Dihydroorotate dehydrogenase (quinone), mitochondrial | inhibitor | targets | |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |