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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:riociguat
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Accession:CHEBI:76018 term browser browse the term
Definition:A carbamate ester that is the methyl ester of {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamic acid. It is used for treatment of chronic thromboembolic pulmonary hypertension and pulmonary arterial hypertension
Synonyms:exact_synonym: methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate
 related_synonym: Adempas;   BAY 63-2521;   Formula=C20H19FN8O2;   InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26);   InChIKey=WXXSNCNJFUAIDG-UHFFFAOYSA-N;   Methyl N-(4,6-diamino-2-{1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl}pyrimidin-5-yl)-N-methylcarbamate;   SMILES=COC(=O)N(C)c1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12;   riociguatum
 xref: CAS:625115-55-1;   Drug_Central:4807;   KEGG:D09572
 xref_mesh: MESH:C542595
 xref: PMCID:PMC3363218;   PMID:19129292;   PMID:20424448;   PMID:20801938;   PMID:20956169;   PMID:21391889;   PMID:21789188;   PMID:22719060;   PMID:22900035;   PMID:22912874;   PMID:22936711;   PMID:23204120;   PMID:23397304;   PMID:23775260;   PMID:23883377;   PMID:23883378;   PMID:23883383;   PMID:23939482;   PMID:23963798;   PMID:23978639;   PMID:23997048;   PMID:23997053;   PMID:24015306;   PMID:24092345;   Patent:US2009286781;   Patent:WO2007009607;   Patent:WO2011147810;   Reaxys:12581953;   Wikipedia:Riociguat


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  CHEBI ontology 494
    role 501
      biological role 494
        activator 0
          enzyme activator 0
            soluble guanylate cyclase activator 0
              riociguat 0
Path 2
Term Annotations click to browse term
  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
                    main group molecular entity 487
                      s-block molecular entity 438
                        hydrogen molecular entity 437
                          hydrides 362
                            inorganic hydride 327
                              pnictogen hydride 326
                                nitrogen hydride 326
                                  azane 321
                                    ammonia 321
                                      organic amino compound 321
                                        aromatic amine 119
                                          aminopyrimidine 91
                                            riociguat 0
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