Details of the Drug

General Information of Drug (ID: DMGLZ26)

Drug Name
Practolol
Synonyms
Dalzic; Eraldin; Practololo; Practololum; Praktololu; Teranol; Eralzdin Practolol; Practololo [DCIT]; Praktololu [Polish]; AY 21011; Cardiol (TN); Cordialina (TN); Dalzic (TN); Eraldin (TN); Eraldina (TN); Practololum [INN-Latin]; Praktol (TN); Pralon (TN); Teranol (TN); Practolol [USAN:BAN:INN]; N-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide; N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide; N-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide; N-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide; N-(4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide; (+-)-Practolol; 1-(4-Acetamidophenoxy)-3-isopropylamino-2-propanol; 4'-(2-Hydroxy-3-(isopropylamino)propoxy)acetanilide
Indication
Disease Entry ICD 11 Status REF
Cardiac arrhythmias BC9Z Approved [1]
Therapeutic Class
Antiarrhythmic Agents
ATC Code
C07AB01: Practolol
C07AB: Beta blocking agents, selective
C07A: BETA BLOCKING AGENTS
C07: BETA BLOCKING AGENTS
C: CARDIOVASCULAR SYSTEM
C07AB01: Practolol
C07AB: Beta blocking agents, selective
C07A: BETA BLOCKING AGENTS
C07: BETA BLOCKING AGENTS
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.34
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
Bioavailability
99% of drug becomes completely available to its intended biological destination(s) [3]
Clearance
The drug present in the plasma can be removed from the body at the rate of 2.28 mL/min/kg [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 12.2 hours [4]
Unbound Fraction
The unbound fraction of drug in plasma is 0.93% [4]
Chemical Identifiers
Formula
C14H22N2O3
IUPAC Name
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Canonical SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O
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)
InChIKey
DURULFYMVIFBIR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4883
ChEBI ID
CHEMBL6995
CAS Number
6673-35-4
UNII
SUG9176GRW
DrugBank ID
DB01297
TTD ID
D0KD1U
INTEDE ID
DR1318
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor beta-1 (ADRB1) TTR6W5O ADRB1_HUMAN Antagonist [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 555).
2 BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
3 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
4 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5 Prostaglandin E2 synthesis elicited by adrenergic stimuli in guinea pig trachea is mediated primarily via activation of beta 2 adrenergic receptors. Prostaglandins. 1992 Nov;44(5):399-412.
6 Application of substrate depletion assay to evaluation of CYP isoforms responsible for stereoselective metabolism of carvedilol. Drug Metab Pharmacokinet. 2016 Dec;31(6):425-432.