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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


show annotations for term's descendants           Sort by:
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 chr14:17,607,397...17,622,814
Ensembl chr14:17,607,381...17,622,836 		JBrowse link
G Bcl2l1 Bcl2-like 1 decreases expression ISO ibrutinib results in decreased expression of BCL2L1 mRNA CTD PMID:26254443 NCBI chr 3:141,253,508...141,304,582
Ensembl chr 3:141,253,523...141,303,479 		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 3:115,366,783...115,404,068
Ensembl chr 3:115,366,646...115,404,068 		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 8:5,000,844...5,028,470
Ensembl chr 8:5,000,845...5,015,802 		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 chr17:81,332,175...81,341,625
Ensembl chr17:81,332,214...81,388,690 		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 More... NCBI chr  X:97,722,796...97,762,315
Ensembl chr  X:97,722,802...97,761,853 		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 9:60,185,338...60,236,173
Ensembl chr 9:60,185,452...60,237,034 		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 chr10:11,335,551...11,461,888
Ensembl chr10:11,335,953...11,461,888 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions
increases metabolic processing
affects metabolic processing		 ISO [CYP3A4 protein results in increased metabolism of ibrutinib] which results in increased abundance of PCI-45227
CYP3A4 protein alternative form affects the metabolism of ibrutinib		 CTD PMID:34153224 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO ibrutinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:108,416,646...108,419,495
Ensembl chr 7:108,416,642...108,419,494 		JBrowse link
G Hbb hemoglobin subunit beta affects binding ISO ibrutinib binds to HBB protein CTD PMID:26675335 NCBI chr 1:158,250,421...158,251,832
Ensembl chr 1:158,120,200...158,252,012 		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 chr16:69,319,487...69,373,251
Ensembl chr16:69,319,554...69,373,250 		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 chr13:42,472,625...42,477,308
Ensembl chr13:42,472,839...42,477,313 		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 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178 		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 chr10:88,165,349...88,215,558
Ensembl chr10:88,165,351...88,215,523 		JBrowse link
G Nfkbia NFKB inhibitor alpha decreases expression ISO ibrutinib results in decreased expression of NFKBIA mRNA CTD PMID:26254443 NCBI chr 6:72,858,713...72,861,941
Ensembl chr 6:72,858,712...72,861,941 		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 chr20:7,554,921...7,559,174
Ensembl chr20:7,554,921...7,559,174 		JBrowse link
G Plcg2 phospholipase C, gamma 2 multiple interactions
decreases phosphorylation
decreases response to substance		 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 chr19:45,547,416...45,683,930
Ensembl chr19:45,547,416...45,683,930 		JBrowse link
G Prdm1 PR/SET domain 1 decreases expression ISO ibrutinib results in decreased expression of PRDM1 mRNA CTD PMID:26254443 NCBI chr20:47,959,858...47,981,488
Ensembl chr20:47,959,858...47,981,488 		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 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484 		JBrowse link
G Tnf tumor necrosis factor decreases expression ISO ibrutinib results in decreased expression of TNF mRNA CTD PMID:26254443 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629 		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 1:13,709,211...13,724,291
Ensembl chr 1:13,709,206...13,725,282 		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 3:8,341,950...8,366,609
Ensembl chr 3:8,341,951...8,366,538 		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 6:130,199,696...130,307,168
Ensembl chr 6:130,206,484...130,305,481 		JBrowse link
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  CHEBI ontology 19921
    role 19893
      application 19734
        pharmaceutical 19573
          drug 19573
            antineoplastic agent 17827
              ibrutinib 24
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  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            heteroorganic entity 19558
                              organochalcogen compound 19317
                                organooxygen compound 19233
                                  carbon oxoacid 18695
                                    carboxylic acid 18692
                                      carboacyl group 17724
                                        univalent carboacyl group 17724
                                          carbamoyl group 17577
                                            carboxamide 17577
                                              alpha,beta-unsaturated carboxylic acid amide 7127
                                                enamide 7127
                                                  acrylamides 6365
                                                    ibrutinib 24
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