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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 24387
    role 24297
      biological role 24264
        biochemical role 23652
          apoptosis inducer 11815
            gilteritinib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24387
    subatomic particle 24344
      composite particle 24344
        hadron 24344
          baryon 24344
            nucleon 24344
              atomic nucleus 24344
                atom 24344
                  main group element atom 24191
                    p-block element atom 24191
                      carbon group element atom 23974
                        carbon atom 23934
                          organic molecular entity 23934
                            organic group 22220
                              organic divalent group 22194
                                organodiyl group 22194
                                  carbonyl group 22177
                                    carbonyl compound 22177
                                      carboxylic acid 21201
                                        carboacyl group 19357
                                          univalent carboacyl group 19357
                                            carbamoyl group 18752
                                              carboxamide 18752
                                                primary carboxamide 3604
                                                  gilteritinib 0
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