practolol   Click here for help

GtoPdb Ligand ID: 555

Synonyms: AY-21011 | ICI-50172
Approved drug
practolol is an approved drug
Compound class: Synthetic organic
Comment: The approved drug practolol is mixture of two enantiomers; (R)-practolol and (S)-practolol. The structure shown here does not specify stereochemistry and represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 70.59
Molecular weight 266.16
XLogP 1.02
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1ccc(cc1)NC(=O)C)CNC(C)C
Isomeric SMILES OC(COc1ccc(cc1)NC(=O)C)CNC(C)C
InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2832 practolol
Synonyms Click here for help
AY-21011 | ICI-50172
Database Links Click here for help
Specialist databases
GPCRdb Ligand practolol
Reactome Drug Reactome logo R-ALL-9618318
Reactome Reaction Reactome logo R-HSA-9609310
Other databases
BindingDB Ligand 25749
CAS Registry No. 6673-35-4 (source: Scifinder)
ChEBI CHEBI:101380
ChEMBL Ligand CHEMBL6995
DrugBank Ligand DB01297
DrugCentral Ligand 3486
GtoPdb PubChem SID 135650846
PubChem CID 4883
Search Google for chemical match using the InChIKey DURULFYMVIFBIR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DURULFYMVIFBIR
Search PubMed clinical trials practolol
Search PubMed titles practolol
Search PubMed titles/abstracts practolol
UniChem Compound Search for chemical match using the InChIKey DURULFYMVIFBIR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DURULFYMVIFBIR-UHFFFAOYSA-N
Wikipedia Practolol