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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 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
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 6:25,761,487...25,799,153
Ensembl chr 6:25,763,228...25,799,153
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        biochemical role 19671
          effector 126
            soluble guanylate cyclase activator 11
              riociguat 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    main group molecular entity 19960
                      s-block molecular entity 19784
                        hydrogen molecular entity 19777
                          hydrides 19115
                            inorganic hydride 17901
                              pnictogen hydride 17884
                                nitrogen hydride 17773
                                  azane 17503
                                    ammonia 17521
                                      organic amino compound 17521
                                        aromatic amine 14915
                                          aminopyrimidine 1688
                                            riociguat 2
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