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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:selumetinib
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Accession:CHEBI:90227 term browser browse the term
Definition:A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-chlorophenyl)amino, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor.
Synonyms:exact_synonym: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide
 related_synonym: ARRY 142886;   ARRY142886;   AZD 6244;   AZD6244;   Formula=C17H15BrClFN4O3;   InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26);   InChIKey=CYOHGALHFOKKQC-UHFFFAOYSA-N;   SMILES=N1(C=NC2=C1C=C(C(=C2F)NC3=CC=C(C=C3Cl)Br)C(=O)NOCCO)C;   selumetinibum
 alt_id: MESH:C517975
 xref: CAS:606143-52-6;   KEGG:D09666;   LINCS:LSM-1056
 xref_mesh: MESH:C517975
 xref: PDBeChem:3EW;   PMID:20407895;   PMID:20978926;   PMID:21594619;   PMID:22241789;   PMID:22343622;   PMID:22394161;   PMID:22565394;   PMID:22972589;   PMID:23372439;   PMID:23444215;   PMID:23942066;   PMID:25322874;   PMID:25342139;   PMID:25379021;   PMID:25385055;   PMID:25498501;   PMID:25637165;   PMID:25887099;   PMID:26059332;   PMID:26384399;   PMID:26446942;   Reaxys:11099648;   Wikipedia:Selumetinib


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selumetinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bcl2l11 Bcl2-like 11 increases expression ISO AZD 6244 results in increased expression of BCL2L11 protein CTD PMID:22729845 NCBI chr 3:115,366,783...115,404,068
Ensembl chr 3:115,366,646...115,404,068 		JBrowse link
G Camp cathelicidin antimicrobial peptide multiple interactions ISO AZD 6244 promotes the reaction [Calcitriol promotes the reaction [resveratrol results in increased expression of CAMP mRNA]]; AZD 6244 promotes the reaction [resveratrol promotes the reaction [Calcitriol results in increased expression of CAMP mRNA]] CTD PMID:24039193 NCBI chr 8:109,841,729...109,843,543
Ensembl chr 8:109,841,729...109,843,543 		JBrowse link
G Casp3 caspase 3 multiple interactions
increases cleavage		 ISO AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] promotes the reaction [TNFRSF10B protein results in increased cleavage of CASP3 protein]]
AZD 6244 results in increased cleavage of CASP3 protein
Doxorubicin promotes the reaction [AZD 6244 results in increased cleavage of CASP3 protein]		 CTD PMID:17876044 PMID:27222248 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Casp7 caspase 7 increases cleavage
multiple interactions		 ISO AZD 6244 results in increased cleavage of CASP7 protein
Doxorubicin promotes the reaction [AZD 6244 results in increased cleavage of CASP7 protein]		 CTD PMID:17876044 NCBI chr 1:255,437,195...255,476,737
Ensembl chr 1:255,437,172...255,476,729 		JBrowse link
G Casp8 caspase 8 multiple interactions ISO AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] promotes the reaction [TNFRSF10B protein results in increased cleavage of CASP8 protein]] CTD PMID:27222248 NCBI chr 9:60,263,863...60,312,542
Ensembl chr 9:60,264,075...60,312,542 		JBrowse link
G Ccnb1 cyclin B1 decreases expression
multiple interactions		 ISO AZD 6244 results in decreased expression of CCNB1 protein
Doxorubicin promotes the reaction [AZD 6244 results in decreased expression of CCNB1 protein]		 CTD PMID:17876044 NCBI chr 2:31,912,190...31,921,163
Ensembl chr 2:31,912,193...31,921,172 		JBrowse link
G Ccnd1 cyclin D1 multiple interactions ISO AZD 6244 results in decreased expression of and results in decreased phosphorylation of CCND1 protein; Doxorubicin promotes the reaction [AZD 6244 results in decreased expression of and results in decreased phosphorylation of CCND1 protein] CTD PMID:17876044 NCBI chr 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602 		JBrowse link
G Cdk2 cyclin dependent kinase 2 multiple interactions
decreases expression		 ISO Doxorubicin promotes the reaction [AZD 6244 results in decreased expression of CDK2 protein] CTD PMID:17876044 NCBI chr 7:1,129,878...1,137,431
Ensembl chr 7:1,129,811...1,137,403 		JBrowse link
G Cdk4 cyclin-dependent kinase 4 decreases expression
multiple interactions		 ISO AZD 6244 results in decreased expression of CDK4 protein
Doxorubicin promotes the reaction [AZD 6244 results in decreased expression of CDK4 protein]		 CTD PMID:17876044 NCBI chr 7:62,885,647...62,889,562
Ensembl chr 7:62,883,105...62,942,403 		JBrowse link
G Cdkn1a cyclin-dependent kinase inhibitor 1A multiple interactions ISO AZD 6244 promotes the reaction [decitabine results in increased expression of CDKN1A] CTD PMID:19422044 NCBI chr20:7,149,177...7,159,727
Ensembl chr20:7,149,217...7,159,585 		JBrowse link
G Chd4 chromodomain helicase DNA binding protein 4 multiple interactions ISO AZD 6244 inhibits the reaction [Harmine results in increased phosphorylation of CHD4 protein] CTD PMID:27805061 NCBI chr 4:157,898,503...157,931,632
Ensembl chr 4:157,899,391...157,931,541 		JBrowse link
G Creb1 cAMP responsive element binding protein 1 decreases phosphorylation ISO AZD 6244 results in decreased phosphorylation of CREB1 protein CTD PMID:31790661 NCBI chr 9:65,903,511...65,972,562
Ensembl chr 9:65,903,547...65,970,816 		JBrowse link
G Eif4ebp1 eukaryotic translation initiation factor 4E binding protein 1 multiple interactions ISO [Ku 0063794 co-treated with AZD 6244] results in decreased phosphorylation of EIF4EBP1 protein CTD PMID:22415236 NCBI chr16:64,792,595...64,805,984
Ensembl chr16:64,790,226...64,805,984 		JBrowse link
G Fos Fos proto-oncogene, AP-1 transcription factor subunit decreases phosphorylation ISO AZD 6244 results in decreased phosphorylation of FOS protein CTD PMID:31790661 NCBI chr 6:105,121,170...105,124,036
Ensembl chr 6:105,121,170...105,124,036 		JBrowse link
G Jak2 Janus kinase 2 increases phosphorylation ISO selumetinib increases phosphorylation of JAK2 protein in colonic epithelium RGD PMID:30706361 RGD:127285668 NCBI chr 1:226,995,334...227,054,381
Ensembl chr 1:226,995,334...227,054,189 		JBrowse link
G Kras KRAS proto-oncogene, GTPase multiple interactions ISO AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] promotes the reaction [TNFRSF10B protein results in increased cleavage of CASP3 protein]]; AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] promotes the reaction [TNFRSF10B protein results in increased cleavage of CASP8 protein]]; AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] promotes the reaction [TNFRSF10B protein results in increased cleavage of PARP1 protein]]; AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] which results in increased expression of TNFRSF10B protein]; AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] which results in increased phosphorylation of MAPK1 protein]; AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] which results in increased phosphorylation of MAPK3 protein]; AZD 6244 inhibits the reaction [KRAS protein mutant form affects the susceptibility to vemurafenib] CTD PMID:27222248 NCBI chr 4:178,185,418...178,218,484 JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions
decreases phosphorylation		 ISO AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] which results in increased phosphorylation of MAPK1 protein]
AZD 6244 results in decreased phosphorylation of MAPK1 protein
AZD 6244 results in decreased phosphorylation of and results in decreased activity of MAPK1 protein; Doxorubicin promotes the reaction [AZD 6244 results in decreased phosphorylation of and results in decreased activity of MAPK1 protein]		 CTD PMID:17876044 PMID:22415236 PMID:27222248 PMID:31790661 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions
decreases phosphorylation		 ISO AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] which results in increased phosphorylation of MAPK3 protein]
AZD 6244 results in decreased phosphorylation of MAPK3 protein
AZD 6244 results in decreased phosphorylation of and results in decreased activity of MAPK3 protein; Doxorubicin promotes the reaction [AZD 6244 results in decreased phosphorylation of and results in decreased activity of MAPK3 protein]		 CTD PMID:17876044 PMID:22415236 PMID:27222248 PMID:31790661 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863 		JBrowse link
G Mmp1 matrix metallopeptidase 1 decreases activity ISO AZD 6244 results in decreased activity of MMP1 protein CTD PMID:31790661 NCBI chr 8:4,658,588...4,679,099
Ensembl chr 8:4,658,588...4,679,097 		JBrowse link
G Mmp2 matrix metallopeptidase 2 decreases activity ISO AZD 6244 results in decreased activity of MMP2 protein CTD PMID:31790661 NCBI chr19:14,154,657...14,182,870
Ensembl chr19:14,154,657...14,182,870 		JBrowse link
G Mmp9 matrix metallopeptidase 9 decreases activity ISO AZD 6244 results in decreased activity of MMP9 protein CTD PMID:31790661 NCBI chr 3:153,684,158...153,692,118
Ensembl chr 3:153,683,858...153,692,120 		JBrowse link
G Myc MYC proto-oncogene, bHLH transcription factor multiple interactions
decreases expression		 ISO Doxorubicin promotes the reaction [AZD 6244 results in decreased expression of MYC protein] CTD PMID:17876044 NCBI chr 7:93,593,705...93,598,633
Ensembl chr 7:93,593,705...93,598,630 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage
multiple interactions		 ISO AZD 6244 results in increased cleavage of PARP1 protein
AZD 6244 inhibits the reaction [[KRAS protein mutant form affects the susceptibility to vemurafenib] promotes the reaction [TNFRSF10B protein results in increased cleavage of PARP1 protein]]
Doxorubicin promotes the reaction [AZD 6244 results in increased cleavage of PARP1 protein]		 CTD PMID:17876044 PMID:27222248 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404 		JBrowse link
G Rps6ka1 ribosomal protein S6 kinase A1 multiple interactions
decreases phosphorylation		 ISO Doxorubicin promotes the reaction [AZD 6244 results in decreased phosphorylation of RPS6KA1 protein] CTD PMID:17876044 NCBI chr 5:146,079,018...146,118,272
Ensembl chr 5:146,079,021...146,118,272 		JBrowse link
G Socs3 suppressor of cytokine signaling 3 multiple interactions ISO AZD 6244 inhibits the reaction [flavone results in increased expression of SOCS3 mRNA]; AZD 6244 inhibits the reaction [flavone results in increased expression of SOCS3 protein] CTD PMID:23782265 NCBI chr10:103,193,909...103,197,322
Ensembl chr10:103,193,537...103,197,787 		JBrowse link
G Ucp1 uncoupling protein 1 multiple interactions ISO AZD 6244 inhibits the reaction [Harmine results in increased expression of UCP1 mRNA] CTD PMID:27805061 NCBI chr19:24,808,782...24,816,853
Ensembl chr19:24,808,783...24,816,852 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19747
    role 19720
      biological role 19718
        antimicrobial agent 17883
          antiviral agent 10712
            anticoronaviral agent 9332
              selumetinib 26
Path 2
Term Annotations click to browse term
  CHEBI ontology 19747
    subatomic particle 19745
      composite particle 19745
        hadron 19745
          baryon 19745
            nucleon 19745
              atomic nucleus 19745
                atom 19745
                  main group element atom 19693
                    p-block element atom 19693
                      carbon group element atom 19638
                        carbon atom 19634
                          organic molecular entity 19634
                            organic group 18850
                              organic divalent group 18836
                                organodiyl group 18836
                                  carbonyl group 18802
                                    carbonyl compound 18802
                                      carboxylic acid 18522
                                        carboacyl group 17658
                                          univalent carboacyl group 17658
                                            carbamoyl group 17499
                                              carboxamide 17499
                                                hydroxamic acid 6311
                                                  hydroxamic acid ester 149
                                                    selumetinib 26
paths to the root