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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 3:14,979,853...15,083,065
Ensembl chr 3:14,979,853...15,083,065
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 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921
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 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602
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 9:13,394,161...13,400,341
Ensembl chr 9:13,394,169...13,489,371
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 8:109,864,356...109,882,734
Ensembl chr 8:109,864,478...109,882,701
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 chr19:34,492,371...34,561,775
Ensembl chr19:34,492,371...34,561,775
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 7:1,129,878...1,137,431
Ensembl chr 7:1,129,811...1,137,403
JBrowse link
G Cdkn1a cyclin-dependent kinase inhibitor 1A increases expression ISO bosutinib results in increased expression of CDKN1A protein CTD PMID:17129604 NCBI chr20:7,149,177...7,159,727
Ensembl chr20:7,149,217...7,159,585
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 4:167,760,067...167,765,177
Ensembl chr 4:167,760,181...167,764,982
JBrowse link
G Csk C-terminal Src kinase decreases activity EXP bosutinib results in decreased activity of CSK protein CTD PMID:17114238 NCBI chr 8:58,029,748...58,048,742
Ensembl chr 8:58,029,749...58,048,292
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 8:120,640,008...120,667,110
Ensembl chr 8:120,639,995...120,667,111
JBrowse link
G Egfr epidermal growth factor receptor decreases activity ISO bosutinib results in decreased activity of EGFR protein CTD PMID:18385429 NCBI chr14:91,176,931...91,349,722
Ensembl chr14:91,177,067...91,344,382
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 chr10:83,411,197...83,435,078
Ensembl chr10:83,411,313...83,435,078
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 5:145,189,814...145,219,571
Ensembl chr 5:145,189,841...145,217,326
JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO bosutinib 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 Lyn LYN proto-oncogene, Src family tyrosine kinase decreases activity EXP bosutinib results in decreased activity of LYN protein CTD PMID:17114238 NCBI chr 5:16,639,512...16,755,501
Ensembl chr 5:16,639,466...16,756,868
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:68,725,365...68,848,572
Ensembl chr  X:68,723,261...68,848,771
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 3:146,091,969...146,139,492
Ensembl chr 3:146,091,841...146,139,476
JBrowse link
G Tcf4 transcription factor 4 multiple interactions ISO bosutinib inhibits the reaction [CTNNB1 protein binds to TCF4 protein] CTD PMID:16489032 NCBI chr18:62,941,739...63,288,126
Ensembl chr18:62,943,782...63,284,425
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19812
      group 19733
        pseudohalo group 3489
          cyano group 3489
            nitrile 3489
              bosutinib 19
                bosutinib hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    main group molecular entity 19708
                      s-block molecular entity 19493
                        hydrogen molecular entity 19488
                          hydrides 18845
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17279
                                    ammonia 17278
                                      organic amino compound 17278
                                        tertiary amino compound 8677
                                          N-alkylpiperazine 3107
                                            N-methylpiperazine 868
                                              bosutinib 19
                                                bosutinib hydrate 0
paths to the root