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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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riociguat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases metabolic processing ISO CYP1A1 protein results in increased metabolism of riociguat CTD PMID:30950278 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
JBrowse link
G Kcnk3 potassium two pore domain channel subfamily K member 3 decreases response to substance
increases activity
ISO KCNK3 protein mutant form results in decreased susceptibility to riociguat
riociguat results in increased activity of KCNK3 protein
CTD PMID:30365877 NCBI chr 6:27,154,274...27,190,209
Ensembl chr 6:27,151,612...27,190,132
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        biochemical role 19282
          effector 104
            soluble guanylate cyclase activator 8
              riociguat 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        aromatic amine 13618
                                          aminopyrimidine 1103
                                            riociguat 2
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