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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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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          apoptosis inducer 0
            gilteritinib 0
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  CHEBI ontology 0
    subatomic particle 0
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            nucleon 0
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                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
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                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        carboacyl group 0
                                          univalent carboacyl group 0
                                            carbamoyl group 0
                                              carboxamide 0
                                                primary carboxamide 0
                                                  gilteritinib 0
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