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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 chr16:69,003,541...69,006,632
Ensembl chr16:69,003,868...69,006,632
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Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      application 19420
        refrigerant 17444
          ammonia 16963
            organic amino compound 16962
              secondary amino compound 6538
                solabegron 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic acid 18108
                                        aromatic carboxylic acid 10901
                                          benzoic acids 10870
                                            carboxybiphenyl 99
                                              solabegron 1
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