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ONTOLOGY REPORT - ANNOTATIONS


Term:ibrutinib
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Accession:CHEBI:76612 term browser browse the term
Definition:A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.
Synonyms:exact_synonym: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
 related_synonym: Formula=C25H24N6O2;   IMBRUVICA;   InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1;   InChIKey=XYFPWWZEPKGCCK-GOSISDBHSA-N;   PCI-32765;   PCI32765;   SMILES=Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C;   ibrutinibum
 alt_id: MESH:C551803
 xref: CAS:936563-96-1 "ChemIDplus";   CAS:936563-96-1 "KEGG DRUG";   Drug_Central:4810 "DrugCentral";   KEGG:D10223
 xref_mesh: MESH:C551803
 xref: PMID:22180443 "Europe PMC";   PMID:22975686 "Europe PMC";   PMID:23045577 "Europe PMC";   PMID:23296407 "Europe PMC";   PMID:23360303 "Europe PMC";   PMID:23425038 "Europe PMC";   PMID:23619564 "Europe PMC";   PMID:23656200 "Europe PMC";   PMID:23672610 "Europe PMC";   PMID:23717217 "Europe PMC";   PMID:23782158 "Europe PMC";   PMID:23886836 "Europe PMC";   PMID:23915749 "Europe PMC";   PMID:23940282 "Europe PMC";   PMID:23958373 "Europe PMC";   PMID:23962569 "Europe PMC";   PMID:24083545 "Europe PMC";   PMID:24111579 "Europe PMC";   PMID:24156429 "Europe PMC";   PMID:24270740 "Europe PMC";   PMID:24307721 "Europe PMC";   PMID:24311722 "Europe PMC";   Patent:US2008076921;   Patent:US2012053189;   Patent:US20130178483;   Patent:US2013079327;   Patent:US2013178483;   Reaxys:13102252 "Reaxys";   Wikipedia:Ibrutinib


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ibrutinib term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Alb albumin JBrowse link 14 19,176,275 19,191,793 RGD:6480464
G Bcl2l1 Bcl2-like 1 JBrowse link 3 148,259,594 148,314,191 RGD:6480464
G Bcl2l11 BCL2 like 11 JBrowse link 3 120,726,906 120,764,192 RGD:6480464
G Birc3 baculoviral IAP repeat-containing 3 JBrowse link 8 6,048,590 6,076,828 RGD:6480464
G Bmi1 BMI1 proto-oncogene, polycomb ring finger JBrowse link 17 85,360,439 85,370,283 RGD:6480464
G Btk Bruton tyrosine kinase JBrowse link X 105,360,922 105,390,580 RGD:6480464
G Cflar CASP8 and FADD-like apoptosis regulator JBrowse link 9 65,534,608 65,586,395 RGD:6480464
G Crebbp CREB binding protein JBrowse link 10 11,590,994 11,721,039 RGD:6480464
G Gpt glutamic--pyruvic transaminase JBrowse link 7 117,759,083 117,761,932 RGD:6480464
G Hbb hemoglobin subunit beta JBrowse link 1 168,971,269 168,972,680 RGD:6480464
G Ikbkb inhibitor of nuclear factor kappa B kinase subunit beta JBrowse link 16 74,177,233 74,230,809 RGD:6480464
G Il10 interleukin 10 JBrowse link 13 47,738,933 47,743,392 RGD:6480464
G Il6 interleukin 6 JBrowse link 4 3,043,231 3,047,807 RGD:6480464
G Map3k14 mitogen-activated protein kinase kinase kinase 14 JBrowse link 10 91,303,428 91,353,601 RGD:6480464
G Nfkbia NFKB inhibitor alpha JBrowse link 6 76,267,227 76,270,457 RGD:6480464
G Pim1 Pim-1 proto-oncogene, serine/threonine kinase JBrowse link 20 8,165,423 8,169,557 RGD:6480464
G Plcg2 phospholipase C, gamma 2 JBrowse link 19 50,039,410 50,173,543 RGD:6480464
G Prdm1 PR/SET domain 1 JBrowse link 20 49,464,921 49,556,623 RGD:6480464
G Rela RELA proto-oncogene, NF-kB subunit JBrowse link 1 220,992,770 221,003,249 RGD:6480464
G Tnf tumor necrosis factor JBrowse link 20 5,189,382 5,192,000 RGD:6480464
G Tnfaip3 TNF alpha induced protein 3 JBrowse link 1 14,401,103 14,416,369 RGD:6480464
G Traf2 Tnf receptor-associated factor 2 JBrowse link 3 2,746,061 2,770,690 RGD:6480464
G Traf3 Tnf receptor-associated factor 3 JBrowse link 6 135,610,698 135,720,247 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19716
    role 19663
      application 19308
        pharmaceutical 19179
          drug 19179
            antineoplastic agent 16732
              ibrutinib 23
Path 2
Term Annotations click to browse term
  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      carboxylic acid 17940
                                        carboacyl group 16948
                                          univalent carboacyl group 16948
                                            carbamoyl group 16630
                                              carboxamide 16630
                                                alpha,beta-unsaturated carboxylic acid amide 4761
                                                  enamide 4761
                                                    acrylamides 3814
                                                      ibrutinib 23
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.