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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:gilteritinib
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Accession:CHEBI:145372 term browser browse the term
Definition:A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.
Synonyms:exact_synonym: 6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-(tetrahydro-2H-pyran-4-ylamino)pyrazine-2-carboxamide
 related_synonym: 6-ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-2-pyrazinecarboxamide;   6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-[(oxan-4-yl)amino]pyrazine-2-carboxamide;   ASP 2215;   ASP2215;   Formula=C29H44N8O3;   InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34);   InChIKey=GYQYAJJFPNQOOW-UHFFFAOYSA-N;   SMILES=CCC1=NC(C(=O)N)=C(NC2=CC=C(N3CCC(CC3)N4CCN(C)CC4)C(OC)=C2)N=C1NC5CCOCC5;   Xospata;   gilteritinibum
 xref: CAS:1254053-43-4;   DrugBank:DB12141;   KEGG:D10709;   PMCID:PMC6817455;   PMID:26279055;   PMID:27908881;   PMID:28516360;   PMID:28645776;   PMID:29498296;   PMID:30039554;   PMID:30514344;   PMID:30721452;   PMID:30936061;   PMID:31069015;   PMID:31122910;   PMID:31203997;   PMID:31320594;   PMID:31454267;   PMID:31469903;   PMID:31528345;   PMID:31665578;   PMID:31692922;   Wikipedia:Gilteritinib


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Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      biological role 19804
        biochemical role 19339
          apoptosis inducer 11005
            gilteritinib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      carboxylic acid 18125
                                        carboacyl group 17383
                                          univalent carboacyl group 17383
                                            carbamoyl group 17166
                                              carboxamide 17166
                                                primary carboxamide 3798
                                                  gilteritinib 0
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