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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:bosutinib
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Accession:CHEBI:39112 term browser browse the term
Definition:An aminoquinoline that is 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline bearing additional cyano and methoxy substituents at positions 3 and 6 respectively.
Synonyms:exact_synonym: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
 related_synonym: 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile;   Formula=C26H29Cl2N5O3;   InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31);   InChIKey=UBPYILGKFZZVDX-UHFFFAOYSA-N;   SKI-606;   SMILES=COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
 alt_id: MESH:C471992
 xref: Beilstein:9100307;   CAS:380843-75-4;   Drug_Central:4359;   KEGG:D03252;   LINCS:LSM-1190
 xref_mesh: MESH:C471992
 xref: PDBeChem:DB8;   PMID:18483306;   PMID:19039322;   PMID:19509264;   PMID:21148045;   PMID:21544849;   PMID:21680801;   PMID:21691746;   PMID:21700731;   PMID:21865346;   PMID:22031512;   PMID:22036634;   PMID:22037769;   PMID:22065400;   PMID:22179664;   PMID:22271876;   PMID:22311495;   PMID:22371878;   PMID:22425385;   PMID:22462037;   PMID:22471705;   PMID:22493660;   PMID:22588706;   PMID:22830347;   PMID:22884766;   PMID:22915985;   PMID:22937303;   PMID:22949154;   Reaxys:9100307;   Wikipedia:Bosutinib


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bosutinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abl1 ABL proto-oncogene 1, non-receptor tyrosine kinase decreases activity ISO bosutinib results in decreased activity of ABL1 protein CTD PMID:17114238 NCBI chr 3:10,041,820...10,145,076
Ensembl chr 3:10,041,826...10,144,388
JBrowse link
G Akt1 AKT serine/threonine kinase 1 decreases phosphorylation
decreases expression
ISO bosutinib results in decreased phosphorylation of AKT1 protein
bosutinib results in decreased expression of AKT1 protein
CTD PMID:17129604 NCBI chr 6:137,218,398...137,239,970
Ensembl chr 6:137,218,376...137,236,258
JBrowse link
G Ccnd1 cyclin D1 decreases expression
multiple interactions
ISO bosutinib results in decreased expression of CCND1 protein
[SM 164 co-treated with bosutinib] results in decreased expression of CCND1 protein
CTD PMID:16489032, PMID:22241084 NCBI chr 1:218,090,750...218,100,447
Ensembl chr 1:218,090,750...218,100,325
JBrowse link
G Ccnd3 cyclin D3 affects localization
multiple interactions
ISO bosutinib affects the localization of CCND3 protein
[bosutinib co-treated with Imatinib Mesylate] affects the localization of CCND3 protein
CTD PMID:17129604 NCBI chr 9:15,404,816...15,410,905
Ensembl chr 9:15,404,822...15,410,943
JBrowse link
G Cdc25a cell division cycle 25A decreases expression
multiple interactions
ISO bosutinib results in decreased expression of CDC25A protein
Imatinib Mesylate promotes the reaction [bosutinib results in decreased expression of CDC25A protein]
CTD PMID:17129604 NCBI chr 8:117,953,223...117,971,552
Ensembl chr 8:117,953,444...117,971,519
JBrowse link
G Cdh1 cadherin 1 multiple interactions ISO bosutinib promotes the reaction [CTNNB1 protein binds to CDH1 protein]; CTNNB1 protein promotes the reaction [bosutinib results in increased stability of CDH1 protein] CTD PMID:16489032 NCBI chr19:38,768,467...38,838,395
Ensembl chr19:38,768,467...38,838,395
JBrowse link
G Cdk2 cyclin dependent kinase 2 decreases activity
decreases expression
ISO bosutinib results in decreased activity of CDK2 protein
bosutinib results in decreased expression of CDK2 protein
CTD PMID:17129604 NCBI chr 7:3,124,953...3,132,533
Ensembl chr 7:3,124,954...3,132,457
JBrowse link
G Cdkn1a cyclin-dependent kinase inhibitor 1A increases expression ISO bosutinib results in increased expression of CDKN1A protein CTD PMID:17129604 NCBI chr20:6,348,422...6,358,864
Ensembl chr20:6,351,458...6,358,864
JBrowse link
G Cdkn1b cyclin-dependent kinase inhibitor 1B increases expression
multiple interactions
ISO bosutinib results in increased expression of CDKN1B protein
Imatinib Mesylate promotes the reaction [bosutinib results in increased expression of CDKN1B protein]
CTD PMID:17129604 NCBI chr 4:168,689,043...168,694,159
Ensembl chr 4:168,689,163...168,693,964
JBrowse link
G Csk C-terminal Src kinase decreases activity EXP bosutinib results in decreased activity of CSK protein CTD PMID:17114238 NCBI chr 8:62,405,714...62,424,707
Ensembl chr 8:62,405,715...62,424,303
JBrowse link
G Ctnnb1 catenin beta 1 affects localization
decreases phosphorylation
multiple interactions
ISO bosutinib affects the localization of CTNNB1 protein
bosutinib results in decreased phosphorylation of CTNNB1 protein
bosutinib inhibits the reaction [CTNNB1 protein binds to TCF4 protein]; bosutinib inhibits the reaction [SRC protein results in increased phosphorylation of CTNNB1 protein]; bosutinib promotes the reaction [CTNNB1 protein binds to CDH1 protein]; CTNNB1 protein promotes the reaction [bosutinib results in increased stability of CDH1 protein]
CTD PMID:16489032 NCBI chr 8:129,601,511...129,628,378
Ensembl chr 8:129,617,812...129,627,372
JBrowse link
G Egfr epidermal growth factor receptor decreases activity ISO bosutinib results in decreased activity of EGFR protein CTD PMID:18385429 NCBI chr14:99,919,485...100,104,136
Ensembl chr14:99,919,485...100,098,796
JBrowse link
G Erbb2 erb-b2 receptor tyrosine kinase 2 decreases phosphorylation EXP bosutinib results in decreased phosphorylation of ERBB2 protein CTD PMID:18385429 NCBI chr10:86,367,596...86,391,728
Ensembl chr10:86,367,596...86,391,728
JBrowse link
G Fgr FGR proto-oncogene, Src family tyrosine kinase decreases activity EXP bosutinib results in decreased activity of FGR protein CTD PMID:17114238 NCBI chr 5:151,172,189...151,199,746
Ensembl chr 5:151,172,206...151,199,745
JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO bosutinib 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 Lyn LYN proto-oncogene, Src family tyrosine kinase decreases activity EXP bosutinib results in decreased activity of LYN protein CTD PMID:17114238 NCBI chr 5:16,526,058...16,642,648
Ensembl chr 5:16,526,058...16,642,648
JBrowse link
G Slc16a2 solute carrier family 16 member 2 multiple interactions ISO bosutinib inhibits the reaction [SLC16A2 protein results in increased uptake of Triiodothyronine] CTD PMID:28119167 NCBI chr  X:74,578,600...74,706,068
Ensembl chr  X:74,577,131...74,706,214
JBrowse link
G Src SRC proto-oncogene, non-receptor tyrosine kinase decreases phosphorylation
multiple interactions
ISO bosutinib results in decreased phosphorylation of SRC protein
bosutinib inhibits the reaction [SRC protein results in increased phosphorylation of CTNNB1 protein]
CTD PMID:16489032 NCBI chr 3:153,547,807...153,595,643
Ensembl chr 3:153,580,861...153,595,642
JBrowse link
G Tcf4 transcription factor 4 multiple interactions ISO bosutinib inhibits the reaction [CTNNB1 protein binds to TCF4 protein] CTD PMID:16489032 NCBI chr18:65,285,320...65,507,983
Ensembl chr18:65,155,685...65,507,977
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    chemical entity 19800
      group 19707
        pseudohalo group 2885
          cyano group 2885
            nitrile 2885
              bosutinib 19
                bosutinib hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    main group molecular entity 19684
                      s-block molecular entity 19428
                        hydrogen molecular entity 19419
                          hydrides 18460
                            inorganic hydride 17428
                              pnictogen hydride 17400
                                nitrogen hydride 17241
                                  azane 16958
                                    ammonia 16957
                                      organic amino compound 16956
                                        tertiary amino compound 8638
                                          N-alkylpiperazine 3075
                                            N-methylpiperazine 845
                                              bosutinib 19
                                                bosutinib hydrate 0
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