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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 3:120,726,906...120,764,192
Ensembl chr 3:120,726,906...120,764,192 		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 8:117,930,557...117,932,371
Ensembl chr 8:117,930,546...117,932,518 		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]]
Doxorubicin promotes the reaction [AZD 6244 results in increased cleavage of CASP3 protein]		 CTD PMID:17876044, PMID:27222248 NCBI chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204 		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 1:277,190,557...277,242,779
Ensembl chr 1:277,190,964...277,242,774 		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 9:65,614,142...65,662,624
Ensembl chr 9:65,614,142...65,662,106 		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 2:30,782,133...30,791,106
Ensembl chr 2:30,783,915...30,791,221 		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 1:218,090,750...218,100,447
Ensembl chr 1:218,090,750...218,100,325 		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 7:3,124,953...3,132,533
Ensembl chr 7:3,124,954...3,132,457 		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 7:70,345,971...70,352,689
Ensembl chr 7:70,349,863...70,352,418 		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 chr20:6,348,422...6,358,864
Ensembl chr20:6,351,458...6,358,864 		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 4:157,612,531...157,645,660
Ensembl chr 4:157,612,536...157,645,659 		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 9:71,229,753...71,298,994
Ensembl chr 9:71,230,108...71,293,435 		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 chr16:68,954,860...68,968,248
Ensembl chr16:68,954,875...68,968,248 		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 6:109,300,433...109,303,299
Ensembl chr 6:109,300,433...109,303,299 		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 4:179,482,562...179,515,483
Ensembl chr 4:179,486,105...179,515,558 		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 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]
AZD 6244 results in decreased phosphorylation of MAPK1 protein		 CTD PMID:17876044, PMID:22415236, PMID:27222248, PMID:31790661 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254 		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 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]
AZD 6244 results in decreased phosphorylation of MAPK3 protein		 CTD PMID:17876044, PMID:22415236, PMID:27222248, PMID:31790661 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975 		JBrowse link
G Mmp1 matrix metallopeptidase 1 decreases activity ISO AZD 6244 results in decreased activity of MMP1 protein CTD PMID:31790661 NCBI chr 8:5,703,206...5,723,593
Ensembl chr 8:5,703,206...5,723,591 		JBrowse link
G Mmp2 matrix metallopeptidase 2 decreases activity ISO AZD 6244 results in decreased activity of MMP2 protein CTD PMID:31790661 NCBI chr19:15,542,771...15,570,589
Ensembl chr19:15,542,765...15,570,611 		JBrowse link
G Mmp9 matrix metallopeptidase 9 decreases activity ISO AZD 6244 results in decreased activity of MMP9 protein CTD PMID:31790661 NCBI chr 3:161,413,410...161,421,473
Ensembl chr 3:161,413,298...161,421,520 		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 7:102,586,313...102,591,240
Ensembl chr 7:102,586,313...102,591,240 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage
multiple interactions		 ISO AZD 6244 results in increased cleavage of PARP1 protein
Doxorubicin promotes the reaction [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]]		 CTD PMID:17876044, PMID:27222248 NCBI chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716 		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 5:152,078,217...152,122,684
Ensembl chr 5:152,078,220...152,122,684 		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 chr10:106,973,863...106,976,969
Ensembl chr10:106,975,178...106,976,040 		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 chr19:24,456,976...24,464,808
Ensembl chr19:24,456,976...24,464,807 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        antimicrobial agent 17312
          antiviral agent 10246
            anticoronaviral agent 8941
              selumetinib 25
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        carboacyl group 17348
                                          univalent carboacyl group 17348
                                            carbamoyl group 17134
                                              carboxamide 17134
                                                hydroxamic acid 6264
                                                  hydroxamic acid ester 144
                                                    selumetinib 25
paths to the root

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