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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:baricitinib
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Accession:CHEBI:95341 term browser browse the term
Definition:A 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.
Synonyms:exact_synonym: {1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile
 related_synonym: 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile;   2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile;   Formula=C16H17N7O2S;   INCB 028050;   INCB028050;   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;   LY 3009104;   LY3009104;   Olumiant;   SMILES=CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1;   baricitinibum
 xref: CAS:1187594-09-7;   Chemspider:26373084;   DrugBank:DB11817;   HMDB:HMDB0248873;   KEGG:D10308;   LINCS:LSM-6709
 xref_mesh: MESH:C000596027
 xref: PDBeChem:3JW;   PMCID:PMC8606629;   PMID:26853940;   PMID:27910962;   PMID:30036348;   PMID:30871014;   PMID:30907116;   PMID:32856090;   PMID:33451175;   PMID:33456084;   PMID:33502499;   PMID:33870531;   PMID:33961266;   PMID:34110416;   PMID:34195587;   PMID:34237007;   PMID:34247230;   PMID:34250455;   PMID:34321249;   PMID:34358107;   PMID:34379541;   PMID:34393789;   PMID:34424311;   PMID:34468689;   PMID:34501467;   PMID:34553429;   PMID:34647989;   PMID:34747511;   PMID:34785883;   Wikipedia:Baricitinib



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baricitinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Aak1 AP2 associated kinase 1 decreases activity ISO baricitinib results in decreased activity of AAK1 protein CTD PMID:32113509 NCBI chr 4:119,300,128...119,451,834
Ensembl chr 4:119,295,257...119,450,969
JBrowse link
G Ccl2 C-C motif chemokine ligand 2 multiple interactions ISO baricitinib inhibits the reaction [OSM protein results in increased expression of CCL2 mRNA] CTD PMID:23968543 NCBI chr10:67,005,424...67,007,222
Ensembl chr10:67,005,424...67,007,226
JBrowse link
G Gak cyclin G associated kinase decreases activity ISO baricitinib results in decreased activity of GAK protein CTD PMID:32113509 NCBI chr14:1,089,853...1,164,098
Ensembl chr14:1,089,866...1,216,398
JBrowse link
G Id2 inhibitor of DNA binding 2 multiple interactions ISO baricitinib inhibits the reaction [[lead acetate results in increased abundance of Lead] which results in increased expression of ID2 protein] CTD PMID:32428222 NCBI chr 6:41,740,556...41,742,393
Ensembl chr 6:41,728,946...41,744,400
JBrowse link
G Jak1 Janus kinase 1 decreases activity
multiple interactions
ISO baricitinib results in decreased activity of JAK1 protein
baricitinib inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of JAK1 protein]
CTD PMID:23968543 PMID:29687421 NCBI chr 5:115,780,248...115,888,841
Ensembl chr 5:115,780,248...115,888,926
JBrowse link
G Jak2 Janus kinase 2 decreases activity
multiple interactions
ISO baricitinib results in decreased activity of JAK2 protein
baricitinib inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of JAK2 protein]
CTD PMID:23968543 PMID:29687421 NCBI chr 1:226,995,334...227,054,381
Ensembl chr 1:226,995,334...227,054,189
JBrowse link
G Jak3 Janus kinase 3 multiple interactions ISO baricitinib inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of JAK3 protein] CTD PMID:23968543 NCBI chr16:18,386,330...18,398,542
Ensembl chr16:18,386,405...18,398,536
JBrowse link
G Osm oncostatin M multiple interactions ISO baricitinib inhibits the reaction [OSM protein results in increased expression of CCL2 mRNA]; baricitinib inhibits the reaction [OSM protein results in increased expression of SAA1 mRNA]; baricitinib inhibits the reaction [OSM protein results in increased expression of SAA2 mRNA]; baricitinib inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of JAK1 protein]; baricitinib inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of JAK2 protein]; baricitinib inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of JAK3 protein] CTD PMID:23968543 NCBI chr14:79,103,638...79,108,500
Ensembl chr14:79,104,344...79,108,313
JBrowse link
G Stat1 signal transducer and activator of transcription 1 multiple interactions ISO baricitinib inhibits the reaction [[lead acetate results in increased abundance of Lead] which results in decreased phosphorylation of STAT1 protein] CTD PMID:32428222 NCBI chr 9:49,419,561...49,459,969
Ensembl chr 9:49,419,340...49,588,540
JBrowse link

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  CHEBI ontology 20072
    role 20024
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        anti-inflammatory agent 16469
          baricitinib 9
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  CHEBI ontology 20072
    subatomic particle 20071
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            nucleon 20071
              atomic nucleus 20071
                atom 20071
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19894
                        carbon atom 19887
                          organic molecular entity 19887
                            organic molecule 19835
                              organic cyclic compound 19589
                                organic heterocyclic compound 18857
                                  heteroarene 16612
                                    monocyclic heteroarene 13622
                                      azole 12849
                                        diazole 8632
                                          pyrazoles 2310
                                            baricitinib 9
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