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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 Akt1 AKT serine/threonine kinase 1 decreases phosphorylation ISO nintedanib results in decreased phosphorylation of AKT1 protein CTD PMID:39284504 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921 		JBrowse link
G Mapk1 mitogen activated protein kinase 1 decreases phosphorylation ISO nintedanib results in decreased phosphorylation of MAPK1 protein CTD PMID:39284504 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 decreases phosphorylation ISO nintedanib results in decreased phosphorylation of MAPK3 protein CTD PMID:39284504 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863 		JBrowse link
G Sqstm1 sequestosome 1 decreases expression ISO nintedanib results in decreased expression of SQSTM1 protein CTD PMID:39284504 NCBI chr10:34,525,517...34,536,670
Ensembl chr10:34,525,519...34,536,673 		JBrowse link
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 19880
    role 19850
      application 19695
        fuel 11357
          methanol 3972
            methyl ester 3918
              nintedanib 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17550
                                            carboxamide 17550
                                              lactam 8390
                                                gamma-lactam 6653
                                                  oxindoles 5885
                                                    nintedanib 1
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