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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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 esylate
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Accession:CHEBI:85170 term browser browse the term
Definition:An organosulfonate salt obtained by combining nintedanib with one molar equivalent of ethanesulfonic acid. A kinase inhibitor used 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 ethanesulfonate
 related_synonym: Formula=C33H39N5O7S;   InChI=1S/C31H33N5O4.C2H6O3S/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;1-2-6(3,4)5/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2H2,1H3,(H,3,4,5)/b29-28-;;   InChIKey=MMMVNAGRWOJNMW-FJBFXRHMSA-N;   Nintedanib ethanesulfonate;   Ofev;   SMILES=CCS(O)(=O)=O.COC(=O)c1ccc2\\C(=C(\\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
 xref: CAS:656247-18-6;   KEGG:D10396;   PMID:25430078;   PMID:25628503;   Reaxys:14300928

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  CHEBI ontology 19741
    role 19714
      application 19547
        pharmaceutical 19423
          drug 19423
            antineoplastic agent 17620
              nintedanib esylate 0
Path 2
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  CHEBI ontology 19741
    subatomic particle 19739
      composite particle 19739
        hadron 19739
          baryon 19739
            nucleon 19739
              atomic nucleus 19739
                atom 19739
                  main group element atom 19687
                    p-block element atom 19687
                      carbon group element atom 19633
                        carbon atom 19629
                          organic molecular entity 19629
                            heteroorganic entity 19383
                              organochalcogen compound 19173
                                organosulfur compound 16876
                                  organosulfonate salt 2
                                    nintedanib esylate 0
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