Structure

InChI Key JZQKKSLKJUAGIC-UHFFFAOYSA-N
Smiles CC(C)NCC(O)COc1cccc2[nH]ccc12
InChI
InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20N2O2
Molecular Weight 248.33
AlogP 1.91
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 57.28
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor partial agonist PARTIAL AGONIST DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 85.04-97.58
Homo sapiens
27 - 0.537-165.96 0.4-110 -24.7-24.5
Rattus norvegicus
- - - 1-1 84

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

Related Entries

Cross References

Resources Reference
ChEBI 8214
ChEMBL CHEMBL500
DrugBank DB00960
DrugCentral 2176
FDA SRS BJ4HF6IU1D
Human Metabolome Database HMDB0015095
Guide to Pharmacology 91
KEGG C07445
PharmGKB PA450966
PubChem 4828
SureChEMBL SCHEMBL5219
ZINC ZINC00056646