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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:solabegron
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Accession:CHEBI:141346 term browser browse the term
Definition:A carboxybiphenyl that is [biphenyl]-3-carboxylic acid carrying a (2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)nitrilo group at the 3' position. A selective beta3-adrenergic receptor agonist currently in clinical development for the treatment of overactive bladder and irritable bowel syndrome.
Synonyms:exact_synonym: 3'-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino][biphenyl]-3-carboxylic acid
 related_synonym: (R)-3'-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid;   Formula=C23H23ClN2O3;   GW-427353;   GW427353;   InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1;   InChIKey=LLDXOPKUNJTIRF-QFIPXVFZSA-N;   SMILES=C=1C(=CC=CC1Cl)[C@H](CNCCNC=2C=C(C=CC2)C=3C=CC=C(C3)C(=O)O)O;   solabegronum
 xref: CAS:252920-94-8;   DrugBank:DB06190
 xref_mesh: MESH:C523977
 xref: PMID:16640337;   PMID:17026593;   PMID:17626794;   PMID:18372395;   PMID:19786030;   PMID:22695239;   PMID:25557359;   PMID:25689345;   PMID:26954275;   Patent:US8642661;   Reaxys:10484931;   Wikipedia:Solabegron


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solabegron term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adrb3 adrenoceptor beta 3 multiple interactions ISO solabegron binds to and results in increased activity of ADRB3 protein CTD PMID:18651730 NCBI chr16:64,839,820...64,844,552
Ensembl chr16:64,841,788...64,844,552 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      application 19689
        NMR chemical shift reference compound 18065
          ammonia 17865
            organic amino compound 17865
              secondary amino compound 6953
                solabegron 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    main group molecular entity 19811
                      s-block molecular entity 19647
                        hydrogen molecular entity 19628
                          hydrides 19139
                            inorganic hydride 18156
                              pnictogen hydride 18146
                                nitrogen hydride 18059
                                  azane 17866
                                    ammonia 17865
                                      organic amino compound 17865
                                        aromatic amine 15478
                                          anilines 14416
                                            substituted aniline 14046
                                              solabegron 1
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