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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 |
|---|
| Roles Classification |
|---|
| Biological Roles: | tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. 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). hepatotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals. |
| Application: | 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 non-steroidal anti-inflammatory drug (CHEBI:35475) |
| 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 |
|---|---|
| teriflunomide | ChemIDplus |
| teriflunomidum | WHO MedNet |
| teriflunomida | WHO MedNet |
| tériflunomide | WHO MedNet |
| Synonyms | Source |
|---|---|
| HMR1726 | ChemIDplus |
| (Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidide | ChemIDplus |
| A 771726 | ChemIDplus |
| HMR 1726 | ChemIDplus |
| A 77-1726 | ChemIDplus |
| Brand Name | Source |
|---|---|
| Aubagio | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D10172 | KEGG DRUG |
| A26 | PDBeChem |
| Teriflunomide | Wikipedia |
| 4634 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6655982 | Reaxys |
| CAS:163451-81-8 | KEGG DRUG |
| CAS:163451-81-8 | ChemIDplus |
| Citations |
|---|