BETAXOLOL HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 6X97D2XT0O
Parent Compound: BETAXOLOL

Structure

InChI Key CHDPSNLJFOQTRK-UHFFFAOYSA-N
Smiles CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl
InChI
InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H30ClNO3
Molecular Weight 343.9
AlogP 2.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 50.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor antagonist ANTAGONIST DailyMed
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
- - 2.951-2.951 - -

Target Conservation

Protein: Beta-1 adrenergic receptor
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591

Cross References

Resources Reference
ChEBI 643228
ChEMBL CHEMBL1691
FDA SRS 6X97D2XT0O
PubChem 107952
SureChEMBL SCHEMBL22721924
ZINC ZINC01530568
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