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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:PF-956980
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Accession:CHEBI:144672 term browser browse the term
Definition:A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a methyl[(3R,4R)-4-methyl-1-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]nitrilo group. It is a potent JAK3-selective chemical probe.
Synonyms:exact_synonym: {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
 related_synonym: Formula=C18H26N6O;   InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1;   InChIKey=RONMOMUOZGIDET-HIFRSBDPSA-N;   PF956980;   PFE-PKIS 8;   SMILES=CN(C1=C2C(NC=C2)=NC=N1)[C@@H]3[C@@H](CCN(C3)C(N4CCCC4)=O)C
 xref: CAS:1262832-74-5
 xref_mesh: MESH:C554945
 xref: PDB:5TQ6;   PDBeChem:7GV;   PMID:18094329;   PMID:20716767;   PMID:23968543;   PMID:26090665;   PMID:27983835;   PMID:28318222


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PF-956980 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ccl2 C-C motif chemokine ligand 2 multiple interactions ISO PF 956980 inhibits the reaction [OSM protein results in increased expression of CCL2 mRNA] CTD PMID:23968543 NCBI chr10:69,412,065...69,413,863
Ensembl chr10:69,412,017...69,413,870
JBrowse link
G Jak3 Janus kinase 3 multiple interactions ISO PF 956980 inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of JAK3 protein] CTD PMID:23968543 NCBI chr16:20,107,471...20,120,678
Ensembl chr16:20,109,200...20,120,668
JBrowse link
G Osm oncostatin M multiple interactions ISO PF 956980 inhibits the reaction [OSM protein results in increased expression of CCL2 mRNA]; PF 956980 inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of JAK3 protein]; PF 956980 inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of STAT1 protein] CTD PMID:23968543 NCBI chr14:84,457,487...84,469,426
Ensembl chr14:84,465,515...84,470,409
JBrowse link
G Stat1 signal transducer and activator of transcription 1 multiple interactions ISO PF 956980 inhibits the reaction [OSM protein results in increased phosphorylation of and results in increased activity of STAT1 protein] CTD PMID:23968543 NCBI chr 9:54,287,540...54,327,958
Ensembl chr 9:54,287,541...54,484,533
JBrowse link

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    role 19764
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        refrigerant 17439
          ammonia 16959
            organic amino compound 16958
              tertiary amino compound 8643
                PF-956980 4
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  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
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                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            inorganic hydride 17430
                              pnictogen hydride 17402
                                nitrogen hydride 17243
                                  azane 16960
                                    ammonia 16959
                                      organic amino compound 16958
                                        tertiary amino compound 8643
                                          PF-956980 4
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