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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 7:140,637,287...140,640,953
Ensembl chr 7:140,637,287...140,640,953
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      application 19391
        fuel 10797
          methanol 3062
            methyl ester 3051
              nintedanib 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18060
                                        carboacyl group 17346
                                          univalent carboacyl group 17346
                                            carbamoyl group 17132
                                              carboxamide 17132
                                                lactam 8026
                                                  gamma-lactam 6265
                                                    oxindoles 5828
                                                      nintedanib 1
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