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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
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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

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  CHEBI ontology 19821
    role 19769
      biological role 19769
        biochemical role 19389
          effector 108
            soluble guanylate cyclase activator 8
              riociguat 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    main group molecular entity 19716
                      s-block molecular entity 19502
                        hydrogen molecular entity 19498
                          hydrides 18852
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17279
                                    ammonia 17278
                                      organic amino compound 17278
                                        aromatic amine 13704
                                          aminopyrimidine 1591
                                            riociguat 2
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