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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 0
    role 0
      biological role 0
        biochemical role 0
          apoptosis inducer 0
            rigosertib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        amino acid 0
                                          alpha-amino acid 0
                                            serine family amino acid 0
                                              glycine 0
                                                glycine derivative 0
                                                  N-[2-methoxy-5-(\{[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl\}methyl)phenyl]glycine 0
                                                    rigosertib 0
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