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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:cobimetinib
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Accession:CHEBI:90851 term browser browse the term
Definition:A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma.
Synonyms:exact_synonym: [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone
 related_synonym: Formula=C21H21F3IN3O2;   GDC-0973;   GDC0973;   InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1;   InChIKey=BSMCAPRUBJMWDF-KRWDZBQOSA-N;   RG 7420;   RG7420;   SMILES=C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F;   XL518;   Xl-518
 xref: CAS:934660-93-2;   DrugBank:DB05239;   Drug_Central:5046;   KEGG:D10405
 xref_mesh: MESH:C574276
 xref: PDBeChem:EUI;   PMID:24589925;   PMID:25037139;   PMID:25142409;   PMID:25243894;   PMID:25265494;   PMID:25444546;   PMID:25813936;   PMID:26365290;   PMID:26384788;   PMID:26451002;   PMID:26452567;   Reaxys:12883594;   Wikipedia:Cobimetinib
 cyclic_relationship: is_conjugate_base_of CHEBI:90854



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cobimetinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bcl2l11 BCL2 like 11 increases expression
multiple interactions
ISO cobimetinib results in increased expression of BCL2L11 protein; cobimetinib results in increased expression of BCL2L11 protein alternative form
2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine promotes the reaction [cobimetinib results in increased expression of BCL2L11 protein alternative form]; 2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine promotes the reaction [cobimetinib results in increased expression of BCL2L11 protein]; [2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine co-treated with cobimetinib] results in decreased phosphorylation of BCL2L11 protein alternative form; cobimetinib promotes the reaction [2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine results in increased expression of BCL2L11 protein alternative form]
CTD PMID:22084396 NCBI chr 3:115,366,783...115,404,068
Ensembl chr 3:115,366,646...115,404,068
JBrowse link
G Braf B-Raf proto-oncogene, serine/threonine kinase multiple interactions
increases response to substance
ISO 2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine promotes the reaction [BRAF protein mutant form results in increased susceptibility to cobimetinib] CTD PMID:22084396 NCBI chr 4:68,375,484...68,510,652
Ensembl chr 4:68,384,649...68,510,463
JBrowse link
G Ccnd1 cyclin D1 decreases expression
multiple interactions
ISO cobimetinib results in decreased expression of CCND1 protein
2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine promotes the reaction [cobimetinib results in decreased expression of CCND1 protein]
CTD PMID:22084396 NCBI chr 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602
JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion EXP cobimetinib 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 Kras KRAS proto-oncogene, GTPase increases response to substance
multiple interactions
ISO KRAS protein mutant form results in increased susceptibility to cobimetinib
2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine promotes the reaction [KRAS protein mutant form results in increased susceptibility to cobimetinib]; cobimetinib promotes the reaction [KRAS protein mutant form results in increased susceptibility to 2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine]
CTD PMID:22084396 NCBI chr 4:178,185,418...178,218,484 JBrowse link
G Mapk1 mitogen activated protein kinase 1 decreases phosphorylation ISO cobimetinib results in decreased phosphorylation of MAPK1 protein CTD PMID:22084396 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 decreases phosphorylation ISO cobimetinib results in decreased phosphorylation of MAPK3 protein CTD PMID:22084396 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link
G Nras NRAS proto-oncogene, GTPase increases response to substance ISO NRAS protein mutant form results in increased susceptibility to cobimetinib CTD PMID:22084396 NCBI chr 2:190,582,885...190,593,509
Ensembl chr 2:190,582,918...190,591,626
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 multiple interactions
increases cleavage
ISO 2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine promotes the reaction [cobimetinib results in increased cleavage of PARP1 protein]; cobimetinib promotes the reaction [2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine results in increased cleavage of PARP1 protein] CTD PMID:22084396 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404
JBrowse link
G Rps6 ribosomal protein S6 multiple interactions ISO cobimetinib promotes the reaction [2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine results in decreased phosphorylation of RPS6 protein] CTD PMID:22084396 NCBI chr 5:101,371,716...101,374,576
Ensembl chr 5:101,371,136...101,374,602
Ensembl chr 5:101,371,136...101,374,602
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19795
    role 19746
      application 19492
        pharmaceutical 19351
          drug 19351
            antineoplastic agent 17359
              cobimetinib 10
Path 2
Term Annotations click to browse term
  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    p-block element atom 19693
                      carbon group element atom 19614
                        carbon atom 19604
                          organic molecular entity 19604
                            organic group 18713
                              organic divalent group 18697
                                organodiyl group 18697
                                  carbonyl group 18646
                                    carbonyl compound 18646
                                      carboxylic acid 18341
                                        carboacyl group 17466
                                          univalent carboacyl group 17466
                                            carbamoyl group 17282
                                              carboxamide 17282
                                                N-acylazetidine 10
                                                  cobimetinib 10
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