BETAXOLOL


Synonyms	ALO-140102 FREE BASE Betaxolol Betoptic Betoptic susp Kerledex Kerlone SL-7521210 FREE BASE
Status
Molecule Category	Free-form
ATC	C07AB05 S01ED02
UNII	O0ZR1R6RZ2
EPA CompTox	DTXSID2022674


InChI Key	NWIUTZDMDHAVTP-UHFFFAOYSA-N
Smiles	CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
InChI	InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3

Property Name	Value
Molecular Formula	C18H29NO3
Molecular Weight	307.43
AlogP	2.39
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	50.72
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	22.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	37.1-657	1.585-125.89	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Canis lupus familiaris	-	37.1	-	-	-
Cavia porcellus	-	-	1.738-104.71	-	-
Homo sapiens	-	-	1.585	-	-
Rattus norvegicus	-	-	2.951	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	3082
ChEMBL	CHEMBL423
DrugBank	DB00195
DrugCentral	356
FDA SRS	O0ZR1R6RZ2
Human Metabolome Database	HMDB0014341
Guide to Pharmacology	549
KEGG	C06849
PharmGKB	PA448611
PubChem	2369
SureChEMBL	SCHEMBL23530

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

BETAXOLOL

Structure

Physicochemical Descriptors

Pharmacology

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