PRONETALOL

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Synonyms
Status
Molecule Category UNKNOWN
UNII XBP4RT1IMQ
EPA CompTox DTXSID8021193

Structure

InChI Key HRSANNODOVBCST-UHFFFAOYSA-N
Smiles CC(C)NCC(O)c1ccc2ccccc2c1
InChI
InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19NO
Molecular Weight 229.32
AlogP 2.87
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 32.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 17.0

Bioactivity

Mechanism of Action Action Reference
Beta-1 adrenergic receptor antagonist ANTAGONIST PubMed PubMed
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
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
- - 160 - -
Assay Description Organism Bioactivity Reference
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA) None 160.0 nM
NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay Plasmodium falciparum 455.0 nM
NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay Plasmodium falciparum 366.0 nM

Cross References

Resources Reference
ChEBI 8463
ChEMBL CHEMBL16476
DrugCentral 2289
FDA SRS XBP4RT1IMQ
KEGG C11707
PubChem 4930
SureChEMBL SCHEMBL78996
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