Structure

InChI Key VIDRYROWYFWGSY-UHFFFAOYSA-N
Smiles CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChI
InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21ClN2O3S
Molecular Weight 308.83
AlogP 1.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 78.43
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor antagonist ANTAGONIST DailyMed Wikipedia

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
Protein: HERG

Description: Potassium voltage-gated channel subfamily H member 2

Organism : Homo sapiens

Q12809 ENSG00000055118

Cross References

Resources Reference
ChEBI 9207
ChEMBL CHEMBL1700
FDA SRS HEC37C70XX
SureChEMBL SCHEMBL118761