AMIBEGRON HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII N910CJ679E

Structure

InChI Key NQIZCDQCNYCVAS-RQBPZYBGSA-N
Smiles CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl
InChI
InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27Cl2NO4
Molecular Weight 440.37
AlogP 3.46
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 67.79
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Beta-3 adrenergic receptor agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 3.5-499 - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL545437
FDA SRS N910CJ679E
PubChem 121888
SureChEMBL SCHEMBL1650845
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