Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

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:neratinib
go back to main search page
Accession:CHEBI:61397 term browser browse the term
Definition:A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enoylamido group at the 6-position, and an ethoxy group at the 7-position.
Synonyms:exact_synonym: (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
 related_synonym: Formula=C30H29ClN6O3;   HKI 272;   InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+;   InChIKey=JWNPDZNEKVCWMY-VQHVLOKHSA-N;   N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide;   SMILES=C1(=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C(=C3)Cl)OCC4=NC=CC=C4)OCC)NC(/C=C/CN(C)C)=O
 xref: CAS:698387-09-6;   KEGG:D08950
 xref_mesh: MESH:C487932
 xref: PMID:15715478;   Reaxys:9971763


show annotations for term's descendants           Sort by:
 
neratinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP binding cassette subfamily B member 11 decreases activity ISO neratinib results in decreased activity of ABCB11 protein CTD PMID:23956101 NCBI chr 3:55,480,024...55,587,946
Ensembl chr 3:55,480,024...55,587,946
JBrowse link
G Egfr epidermal growth factor receptor decreases activity ISO neratinib results in decreased activity of EGFR protein; neratinib results in decreased activity of EGFR protein mutant form CTD PMID:21322567 PMID:22242139 NCBI chr14:99,919,485...100,104,136
Ensembl chr14:99,919,485...100,098,796
JBrowse link
G Ikbkb inhibitor of nuclear factor kappa B kinase subunit beta decreases expression ISO neratinib results in decreased expression of IKBKB protein CTD PMID:22242139 NCBI chr16:74,177,233...74,230,809
Ensembl chr16:74,177,215...74,230,815
JBrowse link
G Nfkb1 nuclear factor kappa B subunit 1 multiple interactions ISO neratinib results in decreased activity of [RELA protein binds to NFKB1 protein] CTD PMID:22242139 NCBI chr 2:240,773,520...240,890,053
Ensembl chr 2:240,773,456...240,866,689
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit multiple interactions ISO neratinib results in decreased activity of [RELA protein binds to NFKB1 protein] CTD PMID:22242139 NCBI chr 1:220,992,770...221,003,249
Ensembl chr 1:220,992,770...221,003,249
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    chemical entity 19875
      group 19787
        pseudohalo group 2909
          cyano group 2909
            nitrile 2909
              neratinib 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic molecule 19586
                              organic cyclic compound 19395
                                organic heterocyclic compound 18511
                                  organonitrogen heterocyclic compound 17579
                                    quinolines 2576
                                      neratinib 5
paths to the root