EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:95341 - baricitinib

Default Structure
ChEBI IDCHEBI:95341
ChEBI Namebaricitinib
Stars
DefinitionA pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a 1-[3-(cyanomethyl)-1-(ethanesulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl group at position 5. It is an FDA approved selective Janus Kinase 1 and 2 (JAK1 and JAK2) inhibitor used for the treatment of rheumatoid arthritis.
Last Modified3 December 2021
DownloadsMolfile
FormulaC16H17N7O2S
Net Charge0
Average Mass371.426
Monoisotopic Mass371.11644
SMILESCCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4nccc34)cn2)C1
InChIInChI=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)
InChIKeyXUZMWHLSFXCVMG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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).
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.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
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.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
baricitinib (CHEBI:95341) has role anti-inflammatory agent (CHEBI:67079)
baricitinib (CHEBI:95341) has role antirheumatic drug (CHEBI:35842)
baricitinib (CHEBI:95341) has role antiviral agent (CHEBI:22587)
baricitinib (CHEBI:95341) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
baricitinib (CHEBI:95341) has role immunosuppressive agent (CHEBI:35705)
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
baricitinibWHO MedNet
baricitinibWHO MedNet
baricitinibWHO MedNet
baricitinibumWHO MedNet
Synonyms  Source
1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrileChEBI
2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrileChEBI
INCB 028050ChemIDplus
INCB-028050DrugBank
INCB028050ChemIDplus
LY 3009104ChemIDplus
Brand Name  Source
OlumiantChemIDplus
Manual XrefsDatabases
26373084ChemSpider
3JWPDBeChem
BaricitinibWikipedia
D10308KEGG DRUG
DB11817DrugBank
HMDB0248873HMDB
LSM-6709LINCS
Registry NumbersSources
CAS:1187594-09-7ChemIDplus
Citations