Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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



show annotations for term's descendants           Sort by:
 
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 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178
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 [TNF protein results in increased secretion of IL6 protein] CTD PMID:12393542 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 19800
    role 19751
      application 19498
        anti-inflammatory agent 15841
          anti-inflammatory drug 13634
            VX-745 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                carbocyclic compound 18316
                                  benzenoid aromatic compound 17484
                                    benzenes 17274
                                      chlorobenzenes 13837
                                        dichlorobenzene 10977
                                          VX-745 4
paths to the root