ISOPROTERENOL HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII DIA2A74855
EPA CompTox DTXSID6025486
Parent Compound: ISOPROTERENOL

Structure

InChI Key IROWCYIEJAOFOW-UHFFFAOYSA-N
Smiles CC(C)NCC(O)c1ccc(O)c(O)c1.Cl
InChI
InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18ClNO3
Molecular Weight 247.72
AlogP 1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor beta agonist AGONIST FDA
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
0.05495-240 - - 501-501.19 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 88.72-105.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.72-105.2
Homo sapiens
0.05495-240 - - 501-501.19 -

Target Conservation

Protein: Adrenergic receptor beta
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252
Protein: Adrenergic receptor beta
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591
Protein: Adrenergic receptor beta
Description: Beta-3 adrenergic receptor
Organism : Homo sapiens
P13945 ENSG00000188778

Cross References

Resources Reference
ChEBI 31453
ChEMBL CHEMBL1711
FDA SRS DIA2A74855
Guide to Pharmacology 548
KEGG D00235
PDB 2TN
PubChem 5807
SureChEMBL SCHEMBL7627
ZINC ZINC00113415
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