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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 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 4:3,043,231...3,047,807
Ensembl chr 4:3,043,231...3,047,807
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 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO VX-745 inhibits the reaction [TNF protein results in increased secretion of IL6 protein] CTD PMID:12393542 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
Ensembl chr20:5,189,390...5,192,000
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 9:17,340,341...17,355,681
Ensembl chr 9:17,340,341...17,355,681
JBrowse link

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  CHEBI ontology 19781
    role 19726
      application 19412
        anti-inflammatory agent 15759
          anti-inflammatory drug 13624
            VX-745 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic molecule 19510
                              organic cyclic compound 19337
                                carbocyclic compound 18300
                                  benzenoid aromatic compound 17411
                                    benzenes 17183
                                      chlorobenzenes 13592
                                        dichlorobenzene 10607
                                          VX-745 4
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