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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:praliciguat
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Accession:CHEBI:142431 term browser browse the term
Definition:A member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejection fraction.
Synonyms:exact_synonym: 1,1,1,3,3,3-hexafluoro-2-[({5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]pyrimidin-4-yl}amino)methyl]propan-2-ol
 related_synonym: Formula=C21H14F8N6O2;   IW-1973;   InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32);   InChIKey=CYSJNTQNMDWAJV-UHFFFAOYSA-N;   SMILES=C=1(C(=CN=C(N1)C=2C=C(N(N2)CC=3C(=CC=CC3)F)C=4C=CON4)F)NCC(O)(C(F)(F)F)C(F)(F)F;   praliciguatum
 xref: CAS:1628730-49-3;   PMID:29281143;   PMID:29643251;   Patent:WO2014144100;   Patent:WO2017095697;   Reaxys:27468841


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  CHEBI ontology 26502
    role 26316
      application 25588
        anti-inflammatory agent 18073
          praliciguat 0
Path 2
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  CHEBI ontology 26502
    subatomic particle 26470
      composite particle 26478
        hadron 26478
          baryon 26478
            nucleon 26470
              atomic nucleus 26478
                atom 26478
                  main group element atom 26206
                    p-block element atom 26206
                      carbon group element atom 25649
                        carbon atom 25611
                          organic molecular entity 25611
                            organic molecule 25362
                              organic cyclic compound 24410
                                organic heterocyclic compound 22422
                                  heteroarene 18811
                                    monocyclic heteroarene 16277
                                      azole 15857
                                        diazole 11525
                                          pyrazoles 2640
                                            praliciguat 0
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