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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 19816
    role 19764
      biological role 19764
        antimicrobial agent 17334
          antiviral agent 10253
            anticoronaviral agent 8944
              selumetinib 25
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18114
                                        carboacyl group 17372
                                          univalent carboacyl group 17372
                                            carbamoyl group 17158
                                              carboxamide 17158
                                                hydroxamic acid 6265
                                                  hydroxamic acid ester 144
                                                    selumetinib 25
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.