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ONTOLOGY REPORT - ANNOTATIONS


Term:neratinib
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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       view all columns           Sort by:
 
neratinib term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb11 ATP binding cassette subfamily B member 11 JBrowse link 3 55,480,024 55,587,946 RGD:6480464
G Egfr epidermal growth factor receptor JBrowse link 14 99,919,485 100,104,136 RGD:6480464
G Ikbkb inhibitor of nuclear factor kappa B kinase subunit beta JBrowse link 16 74,177,233 74,230,809 RGD:6480464
G Nfkb1 nuclear factor kappa B subunit 1 JBrowse link 2 240,773,520 240,890,053 RGD:6480464
G Rela RELA proto-oncogene, NF-kB subunit JBrowse link 1 220,992,770 221,003,249 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19769
      group 19679
        pseudohalo group 2868
          cyano group 2868
            nitrile 2868
              neratinib 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic molecule 19456
                              organic cyclic compound 19213
                                organic heterocyclic compound 18293
                                  organonitrogen heterocyclic compound 17217
                                    quinolines 2559
                                      neratinib 5
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.