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CHEBI:68540 - teriflunomide
| Formula | C12H9F3N2O2 |
| Net Charge | 0 |
| Average Mass | 270.210 |
| Monoisotopic Mass | 270.06161 |
| SMILES | C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7- |
| InChIKey | UTNUDOFZCWSZMS-YFHOEESVSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | hepatotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals. EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor An EC 1.3.98.* (oxidoreductase acting on CH-CH group of donors, with other, known, acceptors) inhibitor that interferes with the action of dihydroorotate oxidase (fumarate), EC 1.3.98.1 (formerly EC 1.3.3.1). tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| Applications: | renoprotective agent Any compound that is able to prevent damage to the kidneys. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| teriflunomide (CHEBI:68540) has role drug metabolite (CHEBI:49103) |
| teriflunomide (CHEBI:68540) has role EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor (CHEBI:68542) |
| teriflunomide (CHEBI:68540) has role hepatotoxic agent (CHEBI:50908) |
| teriflunomide (CHEBI:68540) has role immunosuppressive agent (CHEBI:35705) |
| teriflunomide (CHEBI:68540) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| teriflunomide (CHEBI:68540) has role renoprotective agent (CHEBI:231911) |
| teriflunomide (CHEBI:68540) has role tyrosine kinase inhibitor (CHEBI:38637) |
| teriflunomide (CHEBI:68540) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| teriflunomide (CHEBI:68540) is a aromatic amide (CHEBI:62733) |
| teriflunomide (CHEBI:68540) is a enamide (CHEBI:51751) |
| teriflunomide (CHEBI:68540) is a enol (CHEBI:33823) |
| teriflunomide (CHEBI:68540) is a nitrile (CHEBI:18379) |
| teriflunomide (CHEBI:68540) is a secondary carboxamide (CHEBI:140325) |
| IUPAC Name |
|---|
| (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide |
| INNs | Source |
|---|---|
| teriflunomida | WHO MedNet |
| teriflunomide | ChemIDplus |
| tériflunomide | WHO MedNet |
| teriflunomidum | WHO MedNet |
| Synonyms | Source |
|---|---|
| A 77-1726 | ChemIDplus |
| A 771726 | ChemIDplus |
| A77 1726 | ChEMBL |
| HMR 1726 | ChemIDplus |
| HMR-1726 | ChEMBL |
| HMR1726 | ChemIDplus |
| Brand Names | Source |
|---|---|
| Aubagio | ChemIDplus |
| Teriflunomide accord | ChEMBL |
| Teriflunomide mylan | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 4634 | DrugCentral |
| A26 | PDBeChem |
| D10172 | KEGG DRUG |
| Teriflunomide | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6655982 | Reaxys |
| CAS:163451-81-8 | ChemIDplus |
| CAS:163451-81-8 | KEGG DRUG |
| Citations |
|---|