ISOPROTERENOL

Search structure
Synonyms:
Status: Approved (1956)
Entry Type: Small molecule
Molecule Category: Parent
UNII: L628TT009W

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17NO3
Molecular Weight 211.26
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

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
1-1000 0-1000 50-740 2-676 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 12000-48000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 2 D001281 ClinicalTrials
Kidney Calculi 2 D007669 ClinicalTrials
Lipoma 1 D008067 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials
Orthostatic Intolerance 1 D054971 ClinicalTrials

Related Entries

MCS

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 7683-59-2
ChEBI 64317
ChEMBL CHEMBL434
DrugBank DB01064
DrugCentral 1499
EPA CompTox DTXSID4023175
FDA SRS L628TT009W
Human Metabolome Database HMDB0015197
Guide to Pharmacology 536
KEGG C07056
PharmGKB PA450121
PubChem 3779
SureChEMBL SCHEMBL4165
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