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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
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Term Annotations click to browse term
  CHEBI ontology 19730
    role 19703
      application 19534
        refrigerant 18099
          ammonia 17601
            organic amino compound 17601
              secondary amino compound 6741
                solabegron 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19730
    subatomic particle 19728
      composite particle 19728
        hadron 19728
          baryon 19728
            nucleon 19728
              atomic nucleus 19728
                atom 19728
                  main group element atom 19676
                    p-block element atom 19676
                      carbon group element atom 19620
                        carbon atom 19616
                          organic molecular entity 19616
                            organic group 18827
                              organic divalent group 18812
                                organodiyl group 18812
                                  carbonyl group 18778
                                    carbonyl compound 18778
                                      carboxylic acid 18499
                                        aromatic carboxylic acid 11797
                                          benzoic acids 11771
                                            carboxybiphenyl 105
                                              solabegron 1
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