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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: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 Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Il1b interleukin 1 beta multiple interactions ISO VX-745 inhibits the reaction [Lipopolysaccharides results in increased expression of IL1B protein] CTD PMID:28629242 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415 		JBrowse link
G Il6 interleukin 6 decreases secretion
multiple interactions		 ISO VX-745 results in decreased secretion of IL6 protein
VX-745 inhibits the reaction [TNF protein results in increased secretion of IL6 protein]		 CTD PMID:12393542 NCBI chr 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178 		JBrowse link
G Mapk14 mitogen activated protein kinase 14 decreases activity ISO VX-745 results in decreased activity of MAPK14 protein CTD PMID:28629242 NCBI chr20:6,749,646...6,810,590
Ensembl chr20:6,749,670...6,810,589 		JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO VX-745 inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268 		JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO VX-745 inhibits the reaction [Lipopolysaccharides results in increased expression of TNF protein]; VX-745 inhibits the reaction [TNF protein results in increased secretion of IL6 protein] CTD PMID:12393542 PMID:28629242 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629 		JBrowse link
G Vegfa vascular endothelial growth factor A decreases secretion ISO VX-745 results in decreased secretion of VEGFA protein CTD PMID:12393542 NCBI chr 9:14,955,300...14,970,641
Ensembl chr 9:14,955,300...14,970,641 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      application 19695
        anti-inflammatory agent 16672
          anti-inflammatory drug 14964
            VX-745 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            organic molecule 19706
                              organic cyclic compound 19495
                                carbocyclic compound 18584
                                  benzenoid aromatic compound 18008
                                    benzenes 17873
                                      chlorobenzenes 15046
                                        dichlorobenzene 11550
                                          VX-745 6
paths to the root