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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 2:181,045,694...181,103,321
Ensembl chr 2:181,045,703...181,102,918
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 2:180,976,939...181,026,001
Ensembl chr 2:180,976,939...181,026,024
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 chr13:67,351,230...67,356,920
Ensembl chr13:67,351,087...67,359,335
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 1:82,480,875...82,497,196
Ensembl chr 1:82,480,195...82,497,199
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      biological role 19711
        biochemical role 19301
          effector 107
            soluble guanylate cyclase activator 8
              cinaciguat 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic group 18593
                              organic divalent group 18584
                                organodiyl group 18584
                                  carbonyl group 18499
                                    carbonyl compound 18499
                                      carboxylic acid 18151
                                        aromatic carboxylic acid 11266
                                          benzoic acids 11237
                                            cinaciguat 4
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