Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  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 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730
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 chr14:91,176,931...91,349,722
Ensembl chr14:91,177,067...91,344,382
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 chr16:69,319,487...69,373,251
Ensembl chr16:69,319,554...69,373,250
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 2:224,016,214...224,132,135
Ensembl chr 2:224,016,214...224,110,404
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 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    chemical entity 19800
      group 19722
        pseudohalo group 3821
          cyano group 3821
            nitrile 3821
              neratinib 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  organonitrogen heterocyclic compound 17661
                                    quinolines 2598
                                      neratinib 5
paths to the root