BISOPROLOL

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Search structure


Synonyms	Bisoprolol CL 297,939 CL-297939 EMD 33 512 EMD-33-512 Zebeta Ziac
Status
Molecule Category	Free-form
ATC	C07AB07
UNII	Y41JS2NL6U
EPA CompTox	DTXSID6022682

Structure


InChI Key	VHYCDWMUTMEGQY-UHFFFAOYSA-N
Smiles	CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
InChI	InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H31NO4
Molecular Weight	325.45
AlogP	2.37
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	12.0
Polar Surface Area	59.95
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	23.0

Pharmacology

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	-	-	150	5.3-250	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	150	250	6.4-28.3
Mus musculus	-	-	-	5.3	-

Environmental Exposure

Environmental Exposure Map

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources	Reference
ChEBI	3127
ChEMBL	CHEMBL645
DrugBank	DB00612
DrugCentral	380
FDA SRS	Y41JS2NL6U
Human Metabolome Database	HMDB0014750
Guide to Pharmacology	7129
KEGG	C06852
PharmGKB	PA448641
PubChem	2405
SureChEMBL	SCHEMBL20960

CONTENTS

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