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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 19812
    role 19761
      application 19471
        refrigerant 17691
          ammonia 17278
            organic amino compound 17278
              secondary amino compound 6586
                solabegron 1
Path 2
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  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        aromatic carboxylic acid 11708
                                          benzoic acids 11681
                                            carboxybiphenyl 101
                                              solabegron 1
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