ATENOLOL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C07AB03
UNII 50VV3VW0TI
EPA CompTox DTXSID2022628

Structure

InChI Key METKIMKYRPQLGS-UHFFFAOYSA-N
Smiles CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
InChI
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N2O3
Molecular Weight 266.34
AlogP 0.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 84.58
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Metabolites Network

visNetwork

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
- 1.77-600 23.99-260 150-430 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 6.8-93.81
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 23.99-158.49 - -
Cricetulus griseus
- - - - 78.26-93.81
Homo sapiens
- 1.77-600 260 150-430 -4.6-20.6

Target Conservation

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

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia
USA
Vietnam

Cross References

Resources Reference
ChEBI 2904
ChEMBL CHEMBL24
DrugBank DB00335
DrugCentral 255
FDA SRS 50VV3VW0TI
Human Metabolome Database HMDB0001924
Guide to Pharmacology 548
PharmGKB PA448499
PubChem 2249
SureChEMBL SCHEMBL4362
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