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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 multiple interactions
increases expression
EXP 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]
cobimetinib results in increased expression of BCL2L11 protein; cobimetinib results in increased expression of BCL2L11 protein alternative form
CTD PMID:22084396 NCBI chr 2:111,120,914...111,168,445
Ensembl chr 2:111,119,378...111,168,444
JBrowse link
G BRAF B-Raf proto-oncogene, serine/threonine kinase increases response to substance
multiple interactions
EXP BRAF 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 [BRAF protein mutant form results in increased susceptibility to cobimetinib]
CTD PMID:22084396 NCBI chr 7:140,713,328...140,924,929
Ensembl chr 7:140,719,327...140,924,929
JBrowse link
G CCND1 cyclin D1 decreases expression
multiple interactions
EXP 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 chr11:69,641,156...69,654,474
Ensembl chr11:69,641,156...69,654,474
JBrowse link
G GPT glutamic--pyruvic transaminase increases secretion ISO cobimetinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 8:144,503,068...144,507,172
Ensembl chr 8:144,502,973...144,507,174
JBrowse link
G KRAS KRAS proto-oncogene, GTPase increases response to substance
multiple interactions
EXP 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 chr12:25,205,246...25,250,929
Ensembl chr12:25,205,246...25,250,936
JBrowse link
G MAPK1 mitogen-activated protein kinase 1 decreases phosphorylation EXP cobimetinib results in decreased phosphorylation of MAPK1 protein CTD PMID:22084396 NCBI chr22:21,759,657...21,867,680
Ensembl chr22:21,759,657...21,867,680
JBrowse link
G MAPK3 mitogen-activated protein kinase 3 decreases phosphorylation EXP cobimetinib results in decreased phosphorylation of MAPK3 protein CTD PMID:22084396 NCBI chr16:30,114,105...30,123,220
Ensembl chr16:30,114,105...30,123,506
JBrowse link
G NRAS NRAS proto-oncogene, GTPase increases response to substance EXP NRAS protein mutant form results in increased susceptibility to cobimetinib CTD PMID:22084396 NCBI chr 1:114,704,469...114,716,771
Ensembl chr 1:114,704,469...114,716,771
JBrowse link
G PARP1 poly(ADP-ribose) polymerase 1 increases cleavage
multiple interactions
EXP cobimetinib results in increased cleavage of PARP1 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 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 chr 1:226,360,691...226,408,093
Ensembl chr 1:226,360,210...226,408,154
JBrowse link
G RPS6 ribosomal protein S6 multiple interactions EXP 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 9:19,375,715...19,380,236
Ensembl chr 9:19,375,715...19,380,236
JBrowse link

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  CHEBI ontology 26034
    role 25961
      application 25172
        pharmaceutical 24558
          drug 24544
            antineoplastic agent 20859
              cobimetinib 10
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbon oxoacid 22749
                                    carboxylic acid 22729
                                      carboacyl group 20055
                                        univalent carboacyl group 20055
                                          carbamoyl group 19568
                                            carboxamide 19580
                                              N-acylazetidine 10
                                                cobimetinib 10
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