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ONTOLOGY REPORT - ANNOTATIONS


Term:PLX-4720
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Accession:CHEBI:90295 term browser browse the term
Definition:A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E).
Synonyms:exact_synonym: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
 related_synonym: Formula=C17H14ClF2N3O3S;   InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22);   InChIKey=YZDJQTHVDDOVHR-UHFFFAOYSA-N;   N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;   PLX4720;   SMILES=C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O
 xref: CAS:918505-84-7;   LINCS:LSM-1049;   PDBeChem:324;   PMID:20818433;   PMID:21088259;   PMID:21134546;   PMID:21355020;   PMID:21738740;   PMID:22858545;   PMID:22941213;   PMID:24735766;   PMID:25544599;   PMID:26347528;   PMID:26456124;   Reaxys:12833018


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  CHEBI ontology 19770
    role 19717
      application 19363
        pharmaceutical 19233
          drug 19233
            antineoplastic agent 16912
              PLX-4720 0
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  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
                      chalcogen 19356
                        oxygen atom 19319
                          oxygen molecular entity 19319
                            hydroxides 19063
                              oxoacid 18157
                                chalcogen oxoacid 11478
                                  sulfur oxoacid 11078
                                    sulfonic acid 7311
                                      sulfonic acid derivative 7311
                                        sulfonamide 3169
                                          PLX-4720 0
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