Structure

InChI Key CTENFNNZBMHDDG-UHFFFAOYSA-N
Smiles Cl.NCCc1ccc(O)c(O)c1
InChI
InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12ClNO2
Molecular Weight 189.64
AlogP 0.6
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor agonist AGONIST DailyMed Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 66.46-73.49
Homo sapiens
0.631-37 - - 2-920 -
Phaseolus vulgaris
- - - - 0-26
Rattus norvegicus
- - - 4.5-4.7 -

Target Conservation

Protein: Beta-1 adrenergic receptor

Description: Beta-1 adrenergic receptor

Organism : Homo sapiens

P08588 ENSG00000043591

Cross References

Resources Reference
ChEBI 4698
ChEMBL CHEMBL1557
FDA SRS 7L3E358N9L
Guide to Pharmacology 940
KEGG C03758
PDB LDP
PubChem 65340
SureChEMBL SCHEMBL40951
ZINC ZINC00033882