PROPRANOLOL HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: Salt
UNII: F8A3652H1V
Parent Compound: PROPRANOLOL

Structure
InChI Key ZMRUPTIKESYGQW-UHFFFAOYSA-N
Smile CC(C)NCC(O)COc1cccc2ccccc12.Cl
InChI
InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22ClNO2
Molecular Weight 295.81
AlogP 2.58
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 41.49
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Beta-1 adrenergic receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 8.269
Enzyme
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -7.48-0.48
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 8.73
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 16.05
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 22.82
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 2.262 0.89 2.27 12.69
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 10.19
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 10.75
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1373.1 13.33
Membrane receptor
- 2.262 0.89 1373.1 10.19
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - - 38.36
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 59.88

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pregnancy 3 D011247 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Movement Disorders 2 D009069 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Sarcoma, Kaposi 2 D012514 ClinicalTrials
Double Outlet Right Ventricle 1 D004310 ClinicalTrials
Tetralogy of Fallot 1 D013771 ClinicalTrials
Diabetes Mellitus, Type 2 1 D003924 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.98
Injury, poisoning and procedural complications
13.51
Nervous system disorders
10.18
Cardiac disorders
9.31
Psychiatric disorders
8.86
Vascular disorders
6.67
Investigations
5.62
Respiratory, thoracic and mediastinal disorders
5.39
Skin and subcutaneous tissue disorders
4.74
Gastrointestinal disorders
3.66
Immune system disorders
3.28
Metabolism and nutrition disorders
2.36

Cross References

Resources Reference
ChEBI 8500
ChEMBL CHEMBL1671
EPA CompTox DTXSID3021198
FDA SRS F8A3652H1V
Guide to Pharmacology 564
KEGG C07407
PDB SNP
PubChem 62882
SureChEMBL SCHEMBL41688
ZINC ZINC00056556
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