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


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 "ChemIDplus";   KEGG:D08950
 xref_mesh: MESH:C487932
 xref: PMID:15715478 "Europe PMC";   Reaxys:9971763 "Reaxys"

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 19764
    chemical entity 19763
      group 19672
        pseudohalo group 2775
          cyano group 2775
            nitrile 2775
              neratinib 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            organic molecule 19447
                              organic cyclic compound 19207
                                organic heterocyclic compound 18276
                                  organonitrogen heterocyclic compound 17191
                                    quinolines 2479
                                      neratinib 5
paths to the root


RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.