mirabegron   Click here for help

GtoPdb Ligand ID: 7445

Synonyms: Betmiga® | Myrbetriq® | YM-178
Approved drug
mirabegron is an approved drug (FDA and EMA (2012))
Compound class: Synthetic organic
Comment: Mirabegron is a β3-adrenoceptor agonist muscle relaxant. It has been reported to exert effects on cellular metabolism in adipocytes. This latter action is β3-adrenoceptor-dependent, and improves glucose handling in vivo [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 128.51
Molecular weight 396.16
XLogP 1.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNCC(c1ccccc1)O
Isomeric SMILES O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O
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
InChI Key PBAPPPCECJKMCM-IBGZPJMESA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2012))
IUPAC Name Click here for help
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
International Nonproprietary Names Click here for help
INN number INN
8907 mirabegron
Synonyms Click here for help
Betmiga® | Myrbetriq® | YM-178
Database Links Click here for help
CAS Registry No. 223673-61-8
ChEBI CHEBI:65349
ChEMBL Ligand CHEMBL2095212
DrugBank Ligand DB08893
DrugCentral Ligand 4382
GtoPdb PubChem SID 178104017
PubChem CID 9865528
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Wikipedia Mirabegron

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Tocris
Mirabegron
Cat. No. 7070