AMIBEGRON HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N910CJ679E

Structure
InChI Key NQIZCDQCNYCVAS-RQBPZYBGSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Beta-3 adrenergic receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 9.501
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 3.5-1200 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL545437
FDA SRS N910CJ679E
PubChem 121888
SureChEMBL SCHEMBL1650845
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