PROPRANOLOL


Synonyms	.beta.-propranolol AY-64043- Betalong Dl-propranolol Euprovasin Inderal Inderide-40/25 Inderide-80/25 Propranolol Proprasylyt Reducor
Status
Molecule Category	Free-form
ATC	C07AA05
UNII	9Y8NXQ24VQ
EPA CompTox	DTXSID6023525


InChI Key	AQHHHDLHHXJYJD-UHFFFAOYSA-N
Smiles	CC(C)NCC(O)COc1cccc2ccccc12
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

Property Name	Value
Molecular Formula	C16H21NO2
Molecular Weight	259.35
AlogP	2.58
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	41.49
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2	-	-	-	-	25
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	0.48-251.19	0.1-253.4	0.32-199.53	-1.16-100
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	-	-	50-113	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	8.9-12.8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	55.4

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Canis lupus familiaris	-	4-18	11.22-37.15	-	24.7-98.4
Cavia porcellus	-	28.84-34.67	0.9772-253.4	-	100
Felis catus	-	-	-	-	85-100
Homo sapiens	-	0.48-251.19	0.1-500	0.32-11.75	8.9-55.4
Meleagris gallopavo	-	-	-	2.3	-
Mus musculus	-	-	-	2.4	93
Rattus norvegicus	-	-	-	3-199.53	-1.16-100
Streptococcus pyogenes	-	-	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Countries
Croatia
Germany
Hungary
Romania
Serbia
Slovenia
Sweden
USA
Vietnam

Resources	Reference
ChEBI	8499
ChEMBL	CHEMBL27
DrugBank	DB00571
DrugCentral	2303
FDA SRS	9Y8NXQ24VQ
Human Metabolome Database	HMDB0001849
Guide to Pharmacology	564
KEGG	C07407
PharmGKB	PA451145
PubChem	4946
SureChEMBL	SCHEMBL3955

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...

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Last update: Monday, 3 November 2025

PROPRANOLOL

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Environmental Exposure

Cross References