Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08ROP
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| Former ID |
DAP000636
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| Drug Name |
Leflunomide
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| Synonyms |
Arava; Leflunomid; Leflunomida; Leflunomidum; Lefunamide; Aventis Behring Brand of Leflunomide; Aventis Brand of Leflunomide; Aventis Pharma Brand of Leflunomide; Hoechst Brand of Leflunomide; HWA 486; L 5025; SU 101; SU101; Arava (TN); Arava, Leflunomide; HWA-486; Leflunomida [INN-Spanish]; Leflunomide [USAN:INN]; Leflunomidum [INN-Latin]; Lefunomide [Inn-Spanish]; RS-34821; SU 101 (pharmaceutical); SU-101; AP-501/42475599; Leflunomide (JAN/USAN/INN); N-(4-trifluoromethyphenyl)-5-methylisoxazole-4-carboxamide; N-(4'-Trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide; Alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide; 4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl; 4-isoxazolecarboxamide,5-methyl-N-(4-(trifluoromethyl)phenyl); 5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide; 5-Methylisoxazole-4-(4-trifluoromethyl)carboxanilide; 5-Methylisoxazole-4-(4-trifluoromethylcarboxanilide); 5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide; 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide; 5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide; 5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Arthritis [ICD-11: FA20] | Approved | [1], [2], [3] | |
| Multiple sclerosis [ICD-11: 8A40] | Approved | [1], [2], [3] | ||
| Therapeutic Class |
Antiinflammatory Agents
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| Company |
Sanofi-Aventis
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| Structure |
 |
Download2D MOL |
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| Formula |
C12H9F3N2O2
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| Canonical SMILES |
CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
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| InChI |
1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
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| InChIKey |
VHOGYURTWQBHIL-UHFFFAOYSA-N
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| CAS Number |
CAS 75706-12-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
10107, 517091, 604245, 855764, 866530, 6899003, 7847814, 7979735, 8150074, 8152456, 10321188, 11111382, 11111383, 11336091, 11361330, 11363216, 11365778, 11368340, 11376502, 11462302, 11466800, 11467920, 11486519, 11494136, 11528672, 11533365, 12013774, 15221872, 17405210, 24278516, 26612550, 26746985, 26746986, 26746987, 29223013, 46506013, 47589061, 47662351, 47736556, 47885478, 48110514, 48259307, 48259308, 48416160, 49698814, 49835013, 50100264, 50104054, 50104055, 50104056
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| ChEBI ID |
CHEBI:6402
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| ADReCS Drug ID | BADD_D01252 | |||
| SuperDrug ATC ID |
L04AA13
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| SuperDrug CAS ID |
cas=075706126
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Abundace of Studied Microbe(s) Regulated by Drug | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Dorea formicigenerans
Show/Hide Hierarchy
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Dorea formicigenerans was decreased by Leflunomide (adjusted p-values: 2.22E-03). | |||
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Studied Microbe: Ruminococcus torques
Show/Hide Hierarchy
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Ruminococcus torques was decreased by Leflunomide (adjusted p-values: 6.77E-05). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase) | Target Info | Inhibitor | [5], [6], [7], [8] |
| KEGG Pathway | Pyrimidine metabolism | |||
| Metabolic pathways | ||||
| Pathwhiz Pathway | Pyrimidine Metabolism | |||
| Reactome | Pyrimidine biosynthesis | |||
| WikiPathways | Metabolism of nucleotides | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6825). | |||
| REF 2 | Nat Rev Drug Discov. 2013 Feb;12(2):87-90. | |||
| REF 3 | New drugs in development for the treatment of endometriosis. Expert Opin Investig Drugs. 2008 Aug;17(8):1187-202. | |||
| REF 4 | Extensive impact of non-antibiotic drugs on human gut bacteria. Nature. 2018 Mar 29;555(7698):623-628. | |||
| REF 5 | Identification and characterization of potential new therapeutic targets in inflammatory and autoimmune diseases. Eur J Biochem. 1999 Dec;266(3):1184-91. | |||
| REF 6 | Expression, purification, and characterization of histidine-tagged rat and human flavoenzyme dihydroorotate dehydrogenase. Protein Expr Purif. 1998 Aug;13(3):414-22. | |||
| REF 7 | Dihydroorotate dehydrogenase is a target for the biological effects of leflunomide. Transplant Proc. 1996 Dec;28(6):3088-91. | |||
| REF 8 | Inhibition of dihydroorotate dehydrogenase by the immunosuppressive agent leflunomide. Biochem Pharmacol. 1995 Sep 7;50(6):861-7. | |||
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