Structure

InChI Key COAJXCLTPGGDAJ-UHFFFAOYSA-N
Smiles C=CCOc1ccccc1OCC(O)CNC(C)C.Cl
InChI
InChI=1S/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24ClNO3
Molecular Weight 301.81
AlogP 1.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 50.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor antagonist ANTAGONIST ISBN PubMed

Target Conservation

Protein: Beta-2 adrenergic receptor

Description: Beta-2 adrenergic receptor

Organism : Homo sapiens

P07550 ENSG00000169252
Protein: Beta-1 adrenergic receptor

Description: Beta-1 adrenergic receptor

Organism : Homo sapiens

P08588 ENSG00000043591

Cross References

Resources Reference
ChEMBL CHEMBL1200745
FDA SRS F4XSI7SNIU
Guide to Pharmacology 7255
KEGG D08318
PubChem 71172
SureChEMBL SCHEMBL123517
ZINC ZINC01999544