CHEBI:65349 - mirabegron

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mirabegron
ChEBI ID CHEBI:65349
Definition A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-amino-1,3-thiazol-4-ylacetic acid with the anilino group of (1R)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol. Used for the treatment of overactive bladder syndrome.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H24N4O2S
Net Charge 0
Average Mass 396.50600
Monoisotopic Mass 396.162
InChI InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
InChIKey PBAPPPCECJKMCM-IBGZPJMESA-N
SMILES Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
Roles Classification
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 mirabegron (CHEBI:65349) has role β-adrenergic agonist (CHEBI:35522)
mirabegron (CHEBI:65349) is a 1,3-thiazole (CHEBI:38418)
mirabegron (CHEBI:65349) is a aromatic amide (CHEBI:62733)
mirabegron (CHEBI:65349) is a ethanolamines (CHEBI:23981)
mirabegron (CHEBI:65349) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)phenyl]acetamide
INN Source
mirabegron ChemIDplus
Brand Name Source
Myrbetriq ChEBI
Database Links Databases
4382 DrugCentral
D09535 KEGG DRUG
EP1559427 Patent
EP2119700 Patent
View more database links
Registry Numbers Types Sources
11023250 Reaxys Registry Number Reaxys
223673-61-8 CAS Registry Number KEGG DRUG
223673-61-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20878594 PubMed citation Europe PMC
21142693 PubMed citation Europe PMC
21510978 PubMed citation Europe PMC
22269146 PubMed citation Europe PMC
22317789 PubMed citation Europe PMC
22384458 PubMed citation Europe PMC
22411211 PubMed citation Europe PMC
22430195 PubMed citation Europe PMC
22509825 PubMed citation Europe PMC
22687876 PubMed citation Europe PMC
22691895 PubMed citation Europe PMC
22734512 PubMed citation Europe PMC
22734513 PubMed citation Europe PMC
22821779 PubMed citation Europe PMC
Last Modified
22 February 2017