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
SMILES / InChI / InChIKey
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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)
InChI Key DURULFYMVIFBIR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
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
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
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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