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CHEBI:95341 - baricitinib
| Formula | C16H17N7O2S |
| Net Charge | 0 |
| Average Mass | 371.426 |
| Monoisotopic Mass | 371.11644 |
| SMILES | CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4nccc34)cn2)C1 |
| InChI | InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) |
| InChIKey | XUZMWHLSFXCVMG-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
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| Biological Roles: | 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. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antiviral agent A substance that destroys or inhibits replication of viruses. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2). |
| Applications: | hypoglycemic agent A drug which lowers the blood glucose level. 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. anti-inflammatory agent Any compound that has anti-inflammatory effects. antirheumatic drug A drug used to treat rheumatoid arthritis. dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. antipsoriatic A drug used to treat psoriasis. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| baricitinib (CHEBI:95341) has role anti-HIV agent (CHEBI:64946) |
| baricitinib (CHEBI:95341) has role anti-inflammatory agent (CHEBI:67079) |
| baricitinib (CHEBI:95341) has role antimicrobial agent (CHEBI:33281) |
| baricitinib (CHEBI:95341) has role antipsoriatic (CHEBI:50748) |
| baricitinib (CHEBI:95341) has role antirheumatic drug (CHEBI:35842) |
| baricitinib (CHEBI:95341) has role antiviral agent (CHEBI:22587) |
| baricitinib (CHEBI:95341) has role dermatologic drug (CHEBI:50177) |
| baricitinib (CHEBI:95341) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617) |
| baricitinib (CHEBI:95341) has role hypoglycemic agent (CHEBI:35526) |
| baricitinib (CHEBI:95341) has role immunosuppressive agent (CHEBI:35705) |
| baricitinib (CHEBI:95341) has role neuroprotective agent (CHEBI:63726) |
| baricitinib (CHEBI:95341) has role ophthalmology drug (CHEBI:66981) |
| baricitinib (CHEBI:95341) is a azetidines (CHEBI:38777) |
| baricitinib (CHEBI:95341) is a nitrile (CHEBI:18379) |
| baricitinib (CHEBI:95341) is a pyrazoles (CHEBI:26410) |
| baricitinib (CHEBI:95341) is a pyrrolopyrimidine (CHEBI:38670) |
| baricitinib (CHEBI:95341) is a sulfonamide (CHEBI:35358) |
| IUPAC Name |
|---|
| {1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile |
| INNs | Source |
|---|---|
| baricitinib | WHO MedNet |
| baricitinib | WHO MedNet |
| baricitinib | WHO MedNet |
| baricitinibum | WHO MedNet |
| Synonyms | Source |
|---|---|
| 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile | ChEBI |
| 2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile | ChEBI |
| Baricitinib phosphate | ChEMBL |
| Baricitinib phosphate salt | ChEMBL |
| INCB 028050 | ChemIDplus |
| INCB-028050 | DrugBank |
| Brand Name | Source |
|---|---|
| Olumiant | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 26373084 | ChemSpider |
| 3JW | PDBeChem |
| Baricitinib | Wikipedia |
| D10308 | KEGG DRUG |
| DB11817 | DrugBank |
| HMDB0248873 | HMDB |
| LSM-6709 | LINCS |
| Registry Numbers | Sources |
|---|---|
| CAS:1187594-09-7 | ChemIDplus |
| Citations |
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