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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 19893
    role 19863
      biological role 19861
        biochemical role 19567
          apoptosis inducer 13669
            gilteritinib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            heteroorganic entity 19525
                              organochalcogen compound 19286
                                organooxygen compound 19202
                                  carbon oxoacid 18668
                                    carboxylic acid 18665
                                      carboacyl group 17718
                                        univalent carboacyl group 17718
                                          carbamoyl group 17570
                                            carboxamide 17570
                                              primary carboxamide 6004
                                                gilteritinib 0
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