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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
Ensembl chr 7:130,081,032...130,196,186 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    role 19896
      application 19732
        fuel 11335
          methanol 3951
            methyl ester 3898
              nintedanib 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19867
                    p-block element atom 19867
                      carbon group element atom 19812
                        carbon atom 19807
                          organic molecular entity 19807
                            organic group 18971
                              organic divalent group 18952
                                organodiyl group 18952
                                  carbonyl group 18905
                                    carbonyl compound 18905
                                      carboxylic acid 18622
                                        carboacyl group 17704
                                          univalent carboacyl group 17704
                                            carbamoyl group 17550
                                              carboxamide 17550
                                                lactam 8384
                                                  gamma-lactam 6637
                                                    oxindoles 5878
                                                      nintedanib 1
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