EcoDrugPlus


Synonyms	AY-21,011 AY-21011 Dalzic Eraldin I.C.I. 50,172 I.C.I.-50,172 ICI-50172 Practolol [3-(4-Acetylamino-Phenoxy)-2-Hydroxy-Propyl]-Isopropyl-Ammonium
Status
Molecule Category	Free-form
ATC	C07AB01
UNII	SUG9176GRW
EPA CompTox	DTXSID0021179

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	DURULFYMVIFBIR-UHFFFAOYSA-N
Smiles	CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
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)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H22N2O3
Molecular Weight	266.34
AlogP	1.38
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	70.59
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	19.0

Mechanism of Action	Action	Reference
Beta-1 adrenergic receptor inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	8.4
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	-	61-338.84	-	8-8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	99.03-107.13

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	61-251.19	-	8.4
Cricetulus griseus	-	-	-	-	99.03-107.13
Felis catus	-	-	229.09	-	8-8
Rattus norvegicus	-	-	338.84	700	-

Target Conservation


Protein: Beta-1 adrenergic receptor Description: Beta-1 adrenergic receptor Organism : Homo sapiens P08588 ENSG00000043591

Cross References

Resources	Reference
ChEBI	258351
ChEMBL	CHEMBL6995
DrugBank	DB01297
DrugCentral	3486
FDA SRS	SUG9176GRW
Human Metabolome Database	HMDB0015411
Guide to Pharmacology	555
PubChem	4883
SureChEMBL	SCHEMBL39925

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PRACTOLOL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References