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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: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;   Drug_Central:4810;   KEGG:D10223
 xref_mesh: MESH:C551803
 xref: PMID:22180443;   PMID:22975686;   PMID:23045577;   PMID:23296407;   PMID:23360303;   PMID:23425038;   PMID:23619564;   PMID:23656200;   PMID:23672610;   PMID:23717217;   PMID:23782158;   PMID:23886836;   PMID:23915749;   PMID:23940282;   PMID:23958373;   PMID:23962569;   PMID:24083545;   PMID:24111579;   PMID:24156429;   PMID:24270740;   PMID:24307721;   PMID:24311722;   Patent:US2008076921;   Patent:US2012053189;   Patent:US20130178483;   Patent:US2013079327;   Patent:US2013178483;   Reaxys:13102252;   Wikipedia:Ibrutinib


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ibrutinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alb albumin affects binding ISO ibrutinib binds to ALB protein CTD PMID:26675335 NCBI chr14:19,176,275...19,191,793
Ensembl chr14:19,176,277...19,191,863
JBrowse link
G Bcl2l1 Bcl2-like 1 decreases expression ISO ibrutinib results in decreased expression of BCL2L1 mRNA CTD PMID:26254443 NCBI chr 3:148,259,594...148,314,191
Ensembl chr 3:148,259,596...148,313,810
JBrowse link
G Bcl2l11 BCL2 like 11 multiple interactions ISO ibrutinib promotes the reaction [(+)-JQ1 compound results in increased expression of BCL2L11 protein] CTD PMID:26254443 NCBI chr 3:120,726,906...120,764,192
Ensembl chr 3:120,726,906...120,764,192
JBrowse link
G Birc3 baculoviral IAP repeat-containing 3 decreases expression ISO ibrutinib results in decreased expression of BIRC3 mRNA CTD PMID:26254443 NCBI chr 8:6,048,590...6,076,828
Ensembl chr 8:6,048,969...6,076,598
JBrowse link
G Bmi1 BMI1 proto-oncogene, polycomb ring finger decreases expression ISO ibrutinib results in decreased expression of BMI1 mRNA CTD PMID:26254443 NCBI chr17:85,360,439...85,370,283
Ensembl chr17:85,364,483...85,368,208
JBrowse link
G Btk Bruton tyrosine kinase decreases response to substance
affects binding
multiple interactions
decreases phosphorylation
decreases activity
ISO BTK gene mutant form results in decreased susceptibility to ibrutinib; BTK protein mutant form results in decreased susceptibility to ibrutinib
ibrutinib binds to BTK protein
(+)-JQ1 compound promotes the reaction [ibrutinib results in decreased phosphorylation of and results in decreased expression of BTK protein]; ibrutinib promotes the reaction [(+)-JQ1 compound results in decreased phosphorylation of and results in decreased expression of BTK protein]; ibrutinib results in decreased phosphorylation of and results in decreased expression of BTK protein
ibrutinib results in decreased phosphorylation of BTK protein
ibrutinib results in decreased activity of BTK protein
CTD PMID:23296407 PMID:23425038 PMID:25189416 PMID:26174628 PMID:26254443 PMID:26675335 NCBI chr  X:105,360,922...105,390,580
Ensembl chr  X:105,360,922...105,390,580
JBrowse link
G Cflar CASP8 and FADD-like apoptosis regulator decreases expression ISO ibrutinib results in decreased expression of CFLAR mRNA CTD PMID:26254443 NCBI chr 9:65,534,608...65,586,395
Ensembl chr 9:65,534,704...65,587,251
JBrowse link
G Crebbp CREB binding protein decreases response to substance ISO CREBBP protein mutant form results in decreased susceptibility to ibrutinib CTD PMID:26254443 NCBI chr10:11,590,994...11,721,039
Ensembl chr10:11,595,044...11,721,039
JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO ibrutinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:117,759,083...117,761,932
Ensembl chr 7:117,759,083...117,761,931
JBrowse link
G Hbb hemoglobin subunit beta affects binding ISO ibrutinib binds to HBB protein CTD PMID:26675335 NCBI chr 1:168,971,269...168,972,680
Ensembl chr 1:168,971,274...168,972,725
JBrowse link
G Ikbkb inhibitor of nuclear factor kappa B kinase subunit beta multiple interactions
decreases activity
ISO (+)-JQ1 compound promotes the reaction [ibrutinib results in decreased activity of IKBKB protein]; ibrutinib promotes the reaction [(+)-JQ1 compound results in decreased activity of IKBKB protein] CTD PMID:25049379 NCBI chr16:74,177,233...74,230,809
Ensembl chr16:74,177,215...74,230,815
JBrowse link
G Il10 interleukin 10 multiple interactions
decreases expression
ISO ibrutinib promotes the reaction [CPI203 results in decreased expression of IL10 mRNA]
ibrutinib results in decreased expression of IL10 mRNA
CTD PMID:25049379 PMID:26254443 NCBI chr13:47,738,933...47,743,392
Ensembl chr13:47,739,526...47,743,392
JBrowse link
G Il6 interleukin 6 multiple interactions ISO ibrutinib promotes the reaction [CPI203 results in decreased expression of IL6 mRNA] CTD PMID:25049379 NCBI chr 4:3,043,231...3,047,807
Ensembl chr 4:3,043,231...3,047,807
JBrowse link
G Map3k14 mitogen-activated protein kinase kinase kinase 14 decreases response to substance ISO MAP3K14 protein mutant form results in decreased susceptibility to ibrutinib CTD PMID:26254443 NCBI chr10:91,303,428...91,353,601
Ensembl chr10:91,303,428...91,353,601
JBrowse link
G Nfkbia NFKB inhibitor alpha decreases expression ISO ibrutinib results in decreased expression of NFKBIA mRNA CTD PMID:26254443 NCBI chr 6:76,267,227...76,270,457
Ensembl chr 6:76,267,228...76,270,457
JBrowse link
G Pim1 Pim-1 proto-oncogene, serine/threonine kinase decreases response to substance ISO PIM1 protein mutant form results in decreased susceptibility to ibrutinib CTD PMID:26254443 NCBI chr20:8,165,423...8,169,557
Ensembl chr20:8,165,307...8,169,555
JBrowse link
G Plcg2 phospholipase C, gamma 2 multiple interactions
decreases response to substance
decreases phosphorylation
ISO (+)-JQ1 compound promotes the reaction [ibrutinib results in decreased phosphorylation of PLCG2 protein]; ibrutinib promotes the reaction [(+)-JQ1 compound results in decreased phosphorylation of PLCG2 protein]
PLCG2 protein mutant form results in decreased susceptibility to ibrutinib
CTD PMID:26254443 PMID:27542411 NCBI chr19:50,039,410...50,173,543
Ensembl chr19:50,045,020...50,173,220
JBrowse link
G Prdm1 PR/SET domain 1 decreases expression ISO ibrutinib results in decreased expression of PRDM1 mRNA CTD PMID:26254443 NCBI chr20:49,464,921...49,556,623
Ensembl chr20:49,464,919...49,556,518
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit affects localization ISO ibrutinib affects the localization of RELA protein CTD PMID:26254443 NCBI chr 1:220,992,770...221,003,249
Ensembl chr 1:220,992,770...221,003,249
JBrowse link
G Tnf tumor necrosis factor decreases expression ISO ibrutinib results in decreased expression of TNF mRNA CTD PMID:26254443 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link
G Tnfaip3 TNF alpha induced protein 3 decreases expression ISO ibrutinib results in decreased expression of TNFAIP3 mRNA CTD PMID:26254443 NCBI chr 1:14,401,103...14,416,369
Ensembl chr 1:14,402,913...14,412,807
JBrowse link
G Traf2 Tnf receptor-associated factor 2 decreases response to substance ISO TRAF2 protein mutant form results in decreased susceptibility to ibrutinib CTD PMID:26254443 NCBI chr 3:2,746,061...2,770,690
Ensembl chr 3:2,746,075...2,770,620
JBrowse link
G Traf3 Tnf receptor-associated factor 3 decreases response to substance ISO TRAF3 protein mutant form results in decreased susceptibility to ibrutinib CTD PMID:26254443 NCBI chr 6:135,610,698...135,720,247
Ensembl chr 6:135,610,743...135,718,564
JBrowse link

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    role 19720
      application 19411
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          drug 19299
            antineoplastic agent 17257
              ibrutinib 23
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  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic group 18602
                              organic divalent group 18593
                                organodiyl group 18593
                                  carbonyl group 18506
                                    carbonyl compound 18506
                                      carboxylic acid 18158
                                        carboacyl group 17412
                                          univalent carboacyl group 17412
                                            carbamoyl group 17208
                                              carboxamide 17208
                                                alpha,beta-unsaturated carboxylic acid amide 6675
                                                  enamide 6675
                                                    acrylamides 5886
                                                      ibrutinib 23
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