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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:cinaciguat
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Accession:CHEBI:142433 term browser browse the term
Definition:A benzoic acid that is 4-(aminomethyl)benzoic acid in which the amino group is substituted by 4-carboxybutyl and 2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl groups. It is a soluble guanylate cyclase activator, used for the treatment of acute decompensated heart failure.
Synonyms:exact_synonym: 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid
 related_synonym: BAY 58-2667;   BAY582667;   Formula=C36H39NO5;   InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41);   InChIKey=WPYWMXNXEZFMAK-UHFFFAOYSA-N;   SMILES=C=1C=CC=C(C1)CCC2=CC=C(C=C2)COC3=C(C=CC=C3)CCN(CCCCC(O)=O)CC4=CC=C(C=C4)C(O)=O;   cinaciguatum
 xref: CAS:329773-35-5;   KEGG:D07577
 xref_mesh: MESH:C480588
 xref: PDBeChem:Z90;   PMID:18779378;   PMID:20067336;   PMID:20463019;   PMID:20730699;   PMID:21856817;   PMID:21868716;   PMID:22474005;   PMID:22713287;   PMID:23144773;   PMID:24090476;   PMID:25200007;   PMID:26520063;   PMID:27122537;   PMID:27853261;   PMID:28894114;   PMID:29138269;   PMID:29653192;   Patent:US2012010292;   Reaxys:9676935;   Wikipedia:Cinaciguat


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cinaciguat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gucy1a1 guanylate cyclase 1 soluble subunit alpha 1 multiple interactions ISO
EXP		 [BAY 58-2667 co-treated with 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one] results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]; BAY 58-2667 results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]; dicyanocobinamide promotes the reaction [BAY 58-2667 results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]]
1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one promotes the reaction [BAY 58-2667 results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]]; BAY 58-2667 inhibits the reaction [1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one results in increased degradation of GUCY1A1 protein]; BAY 58-2667 inhibits the reaction [Heme deficiency results in decreased activity of [GUCY1A1 protein binds to GUCY1B1 protein]]; BAY 58-2667 results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]; zinc protoporphyrin inhibits the reaction [BAY 58-2667 inhibits the reaction [Heme deficiency results in decreased activity of [GUCY1A1 protein binds to GUCY1B1 protein]]]		 CTD PMID:19466990 PMID:22171090 NCBI chr 2:167,418,615...167,482,293
Ensembl chr 2:167,418,640...167,481,671 		JBrowse link
G Gucy1b1 guanylate cyclase 1 soluble subunit beta 1 multiple interactions
affects binding		 EXP
ISO		 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one promotes the reaction [BAY 58-2667 results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]]; 5-chloro-2-(5-chlorothiophene-2-sulfonylamino)-N-(4-(morpholine-4-sulfonyl)phenyl)benzamide inhibits the reaction [BAY 58-2667 binds to GUCY1B1 protein]; BAY 58-2667 inhibits the reaction [Heme deficiency results in decreased activity of [GUCY1A1 protein binds to GUCY1B1 protein]]; BAY 58-2667 results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]; zinc protoporphyrin inhibits the reaction [BAY 58-2667 binds to GUCY1B1 protein]; zinc protoporphyrin inhibits the reaction [BAY 58-2667 inhibits the reaction [Heme deficiency results in decreased activity of [GUCY1A1 protein binds to GUCY1B1 protein]]]
[BAY 58-2667 co-treated with 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one] results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]; BAY 58-2667 results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]; dicyanocobinamide promotes the reaction [BAY 58-2667 results in increased activity of [GUCY1A1 protein binds to GUCY1B1 protein]]		 CTD PMID:19466990 PMID:22171090 NCBI chr 2:167,348,824...167,398,983
Ensembl chr 2:167,348,825...167,398,916 		JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 multiple interactions EXP BAY 58-2667 inhibits the reaction [Isoproterenol results in increased expression of PTGS2 mRNA] CTD PMID:19667237 NCBI chr13:62,163,936...62,172,193
Ensembl chr13:62,163,932...62,172,188 		JBrowse link
G Tgfb1 transforming growth factor, beta 1 multiple interactions EXP BAY 58-2667 inhibits the reaction [Isoproterenol results in increased expression of TGFB1 mRNA] CTD PMID:19667237 NCBI chr 1:81,196,532...81,212,848
Ensembl chr 1:81,196,532...81,212,847 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19932
    role 19904
      biological role 19902
        activator 107
          enzyme activator 68
            soluble guanylate cyclase activator 11
              cinaciguat 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    p-block element atom 19876
                      carbon group element atom 19816
                        carbon atom 19812
                          organic molecular entity 19812
                            heteroorganic entity 19559
                              organochalcogen compound 19317
                                organooxygen compound 19231
                                  carbon oxoacid 18687
                                    carboxylic acid 18684
                                      aromatic carboxylic acid 12708
                                        benzoic acids 12685
                                          cinaciguat 4
paths to the root