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rigosertib - Ontology Report - Rat Genome Database

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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:rigosertib
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Accession:CHEBI:145417 term browser browse the term
Definition:An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties.
Synonyms:exact_synonym: N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
 related_synonym: (E)-ON 01910;   Formula=C21H25NO8S;   InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+;   InChIKey=OWBFCJROIKNMGD-BQYQJAHWSA-N;   ON-01910;   SMILES=C1(=CC(=C(C(=C1)OC)/C=C/S(CC2=CC=C(C(=C2)NCC(O)=O)OC)(=O)=O)OC)OC;   [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid;   rigosertibum
 xref: CAS:592542-59-1;   DrugBank:DB12146;   KEGG:D10154;   LINCS:LSM-44531;   PDBeChem:6FS;   PMID:15766665;   PMID:16223707;   PMID:27150054;   PMID:27764820;   PMID:28985505;   PMID:29070108;   PMID:29144985;   PMID:30956775;   PMID:31299161;   PMID:31312928;   Wikipedia:Rigosertib
 cyclic_relationship: is_conjugate_acid_of CHEBI:145422

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  CHEBI ontology 19887
    role 19858
      biological role 19856
        biochemical role 19566
          apoptosis inducer 13666
            rigosertib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19887
    subatomic particle 19885
      composite particle 19885
        hadron 19885
          baryon 19885
            nucleon 19885
              atomic nucleus 19885
                atom 19885
                  main group element atom 19824
                    main group molecular entity 19824
                      s-block molecular entity 19658
                        hydrogen molecular entity 19640
                          hydrides 19145
                            inorganic hydride 18162
                              pnictogen hydride 18152
                                nitrogen hydride 18059
                                  azane 17869
                                    ammonia 17868
                                      organic amino compound 17868
                                        amino acid 16061
                                          alpha-amino acid 13936
                                            serine family amino acid 5765
                                              glycine 3329
                                                glycine derivative 3317
                                                  N-[2-methoxy-5-(\{[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl\}methyl)phenyl]glycine 0
                                                    rigosertib 0
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