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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:nintedanib
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Accession:CHEBI:85164 term browser browse the term
Definition:A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.
Synonyms:exact_synonym: methyl (3Z)-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
 related_synonym: BIBF 1120;   BIBF1120;   Formula=C31H33N5O4;   InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-;   InChIKey=XZXHXSATPCNXJR-ZIADKAODSA-N;   SMILES=COC(=O)c1ccc2\\C(=C(\\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
 xref: CAS:656247-17-5;   Drug_Central:4903;   KEGG:D10481
 xref_mesh: MESH:C530716
 xref: PDBeChem:XIN;   PMID:24657398;   PMID:25299232;   PMID:25338318;   PMID:25430078;   PMID:25474320;   PMID:25478720;   PMID:25527450;   PMID:25534294;   PMID:25571784;   PMID:25745043;   Reaxys:12016593;   Wikipedia:Nintedanib
 cyclic_relationship: is_conjugate_base_of CHEBI:85172


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nintedanib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Tuba1a tubulin, alpha 1A decreases expression ISO nintedanib results in decreased expression of TUBA1A mRNA CTD PMID:27015953 NCBI chr 7:130,113,214...130,116,880 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        fuel 11017
          methanol 3861
            methyl ester 3833
              nintedanib 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        carboacyl group 17485
                                          univalent carboacyl group 17485
                                            carbamoyl group 17299
                                              carboxamide 17299
                                                lactam 8307
                                                  gamma-lactam 6589
                                                    oxindoles 5837
                                                      nintedanib 1
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