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ONTOLOGY REPORT - ANNOTATIONS


Term:VX-745
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Accession:CHEBI:90528 term browser browse the term
Definition:A member of the class of pyrimidopyridazines that is 6H-pyrimido[1,6-b]pyridazin-6-one substituted at positions 2 and 5 by (2,4-difluorophenyl)sulfanyl and 2,6-dichlorophenyl groups respectively
Synonyms:exact_synonym: 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one
 related_synonym: Formula=C19H9Cl2F2N3OS;   InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H;   InChIKey=VEPKQEUBKLEPRA-UHFFFAOYSA-N;   SMILES=FC=1C=CC(SC2=NN3C(C=C2)=C(C(=O)N=C3)C=4C(Cl)=CC=CC4Cl)=C(C1)F;   VX745
 xref: CAS:209410-46-8;   DrugBank:DB07138;   LINCS:LSM-1169
 xref_mesh: MESH:C464966
 xref: PDBeChem:52P;   PMID:16302819;   PMID:19751974;   PMID:22868770;   PMID:25086905;   PMID:25836052;   PMID:26401942;   Reaxys:10294643


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VX-745 term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Il6 interleukin 6 JBrowse link 4 3,043,231 3,047,807 RGD:6480464
G Slc22a2 solute carrier family 22 member 2 JBrowse link 1 48,318,025 48,360,219 RGD:6480464
G Tnf tumor necrosis factor JBrowse link 20 5,189,382 5,192,000 RGD:6480464
G Vegfa vascular endothelial growth factor A JBrowse link 9 17,340,341 17,355,681 RGD:6480464

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Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      application 19363
        anti-inflammatory agent 14954
          anti-inflammatory drug 13607
            VX-745 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic molecule 19461
                              organic cyclic compound 19222
                                carbocyclic compound 17555
                                  benzenoid aromatic compound 17106
                                    benzenes 16843
                                      chlorobenzenes 12992
                                        dichlorobenzene 10283
                                          VX-745 4
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