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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: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Definition:A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine.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
 xref_mesh: MESH:C528407
 xref: 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 494
    role 501
      application 452
        pharmaceutical 453
          drug 446
            antineoplastic agent 323
              PLX-4720 0
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  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      chalcogen 445
                        oxygen atom 448
                          oxygen molecular entity 443
                            hydroxides 418
                              oxoacid 373
                                chalcogen oxoacid 13
                                  sulfur oxoacid 13
                                    sulfonic acid 12
                                      sulfonic acid derivative 12
                                        sulfonamide 9
                                          PLX-4720 0
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