(-)-propranolol   Click here for help

GtoPdb Ligand ID: 63

PDB Ligand
Compound class: Synthetic organic
Comment: A component of the approved drug propranolol. Propranolol is a racemic mixture of two enantiomers (+)-propranolol, and (-)-propranolol. Some of the database entries linked to from this page may refer to the mixture and do not specify stereochemistry in the images of the structue shown.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 41.49
Molecular weight 259.16
XLogP 3.03
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1cccc2c1cccc2)CNC(C)C
Isomeric SMILES O[C@H](COc1cccc2c1cccc2)CNC(C)C
InChI InChI=1S/C16H21NO2/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/t14-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1940 propranolol
Database Links Click here for help
Specialist databases
GPCRdb Ligand (-)-propranolol
Other databases
BindingDB Ligand 50246936
CAS Registry No. 4199-09-1 (source: Scifinder)
ChEMBL Ligand CHEMBL452861
DrugBank Ligand DB00571
GtoPdb PubChem SID 135650859
PubChem CID 91536
Search Google for chemical match using the InChIKey AQHHHDLHHXJYJD-AWEZNQCLSA-N
Search Google for chemicals with the same backbone AQHHHDLHHXJYJD
Search PubMed clinical trials propranolol
Search PubMed titles propranolol
Search PubMed titles/abstracts propranolol
UniChem Compound Search for chemical match using the InChIKey AQHHHDLHHXJYJD-AWEZNQCLSA-N
UniChem Connectivity Search for chemical match using the InChIKey AQHHHDLHHXJYJD-AWEZNQCLSA-N
Wikipedia Propanolol