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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:vatalanib
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Accession:CHEBI:90620 term browser browse the term
Definition:A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.
Synonyms:exact_synonym: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
 related_synonym: CGP-79787;   CGP79787;   Formula=C20H15ClN4;   InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25);   InChIKey=YCOYDOIWSSHVCK-UHFFFAOYSA-N;   N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine;   N-(p-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;   PTK-787;   PTK/ZK;   PTK787;   SMILES=N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl;   ZK-232934
 xref: CAS:212141-54-3;   DrugBank:DB04879;   KEGG:D06285;   LINCS:LSM-5774
 xref_mesh: MESH:C404768
 xref: PMID:16882767;   PMID:21617019;   PMID:22197613;   PMID:22664478;   PMID:22910317;   PMID:23488610;   PMID:23700288;   PMID:24449400;   PMID:24799063;   PMID:24838014;   PMID:24939212;   PMID:25340839;   PMID:26206183;   PMID:26403354;   Reaxys:8638800;   Wikipedia:Vatalanib


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vatalanib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 multiple interactions ISO [vatalanib co-treated with NR1I3 protein alternative form] results in increased expression of CYP2B6 mRNA CTD PMID:31312845 NCBI chr 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143 		JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 multiple interactions ISO [vatalanib co-treated with NR1I3 protein alternative form] results in increased expression of CYP2B6 mRNA; vatalanib inhibits the reaction [ethyl (5-(diethylglycyl)-10,11-dihydro-5H-dibenzo(b,f)azepin-3-yl)carbamate results in decreased activity of NR1I3 protein] CTD PMID:31312845 NCBI chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      application 19714
        pharmaceutical 19550
          drug 19550
            antineoplastic agent 17830
              vatalanib 2
                vatalanib succinate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19670
                        hydrogen molecular entity 19651
                          hydrides 19158
                            inorganic hydride 18176
                              pnictogen hydride 18166
                                nitrogen hydride 18079
                                  azane 17886
                                    ammonia 17885
                                      organic amino compound 17885
                                        secondary amino compound 6962
                                          vatalanib 2
                                            vatalanib succinate 0
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