RITOBEGRON

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Synonyms
Status
Molecule Category Free-form
UNII LD86RKR53M

Structure

InChI Key VMMYRRFPMAGXNP-BTYIYWSLSA-N
Smiles Cc1cc(OCC(=O)O)c(C)cc1CCN[C@@H](C)[C@H](O)c1ccc(O)cc1
InChI
InChI=1S/C21H27NO5/c1-13-11-19(27-12-20(24)25)14(2)10-17(13)8-9-22-15(3)21(26)16-4-6-18(23)7-5-16/h4-7,10-11,15,21-23,26H,8-9,12H2,1-3H3,(H,24,25)/t15-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27NO5
Molecular Weight 373.45
AlogP 2.73
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 99.02
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Beta-3 adrenergic receptor agonist AGONIST PubMed

Target Conservation

Protein: Beta-3 adrenergic receptor
Description: Beta-3 adrenergic receptor
Organism : Homo sapiens
P13945 ENSG00000188778

Cross References

Resources Reference
ChEMBL CHEMBL2107773
DrugBank DB12080
FDA SRS LD86RKR53M
PubChem 9820882
SureChEMBL SCHEMBL1404071
ZINC ZINC000072266295
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