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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 19899
    role 19869
      biological role 19867
        activator 108
          enzyme activator 68
            soluble guanylate cyclase activator 11
              riociguat 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            inorganic hydride 18183
                              pnictogen hydride 18173
                                nitrogen hydride 18086
                                  azane 17891
                                    ammonia 17890
                                      organic amino compound 17890
                                        aromatic amine 15506
                                          aminopyrimidine 2024
                                            riociguat 2
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