CHEBI:141346 - solabegron

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ChEBI Name solabegron ChEBI ID CHEBI:141346 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 β3-adrenergic receptor agonist currently in clinical development for the treatment of overactive bladder and irritable bowel syndrome. Stars This entity has been manually annotated by the ChEBI Team. Submitter Bijay Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C23H23ClN2O3 Net Charge 0 Average Mass 410.894 Monoisotopic Mass 410.13972 InChI 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 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): beta-adrenergic agonist An agent that selectively binds to and activates beta-adrenergic receptors. Application(s): beta-adrenergic agonist An agent that selectively binds to and activates beta-adrenergic receptors. View more via ChEBI Ontology ChEBI Ontology Outgoing solabegron (CHEBI:141346) has role β-adrenergic agonist (CHEBI:35522) solabegron (CHEBI:141346) is a carboxybiphenyl (CHEBI:141493) solabegron (CHEBI:141346) is a monochlorobenzenes (CHEBI:83403) solabegron (CHEBI:141346) is a secondary alcohol (CHEBI:35681) solabegron (CHEBI:141346) is a secondary amino compound (CHEBI:50995) solabegron (CHEBI:141346) is a substituted aniline (CHEBI:48975) IUPAC Name 3'-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino][biphenyl]-3-carboxylic acid INNs Sources solabegron WHO MedNet solabegrón WHO MedNet solabégron WHO MedNet solabegronum WHO MedNet Synonyms Sources (R)-3'-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid ChEBI GW 427353 ChEBI GW-427353 ChEBI GW427353 ChEBI Manual Xrefs Databases DB06190 DrugBank Solabegron Wikipedia US8642661 Patent View more database links Registry Numbers Types Sources 10484931 Reaxys Registry Number Reaxys 252920-94-8 CAS Registry Number ChemIDplus Citations Types Sources 16640337 PubMed citation Europe PMC 17026593 PubMed citation Europe PMC 17626794 PubMed citation Europe PMC 18372395 PubMed citation Europe PMC 19786030 PubMed citation Europe PMC 22695239 PubMed citation Europe PMC 25557359 PubMed citation Europe PMC 25689345 PubMed citation Europe PMC 26954275 PubMed citation Europe PMC Last Modified 08 October 2018