CELIPROLOL


Synonyms	Celiprolol Celiprolol pch
Status
Molecule Category	Free-form
ATC	C07AB08
UNII	DRB57K47QC
EPA CompTox	DTXSID3020259

Structure


InChI Key	JOATXPAWOHTVSZ-UHFFFAOYSA-N
Smiles	CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1
InChI	InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H33N3O4
Molecular Weight	379.5
AlogP	2.89
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	90.9
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Adrenergic receptor alpha-2 antagonist	ANTAGONIST	PubMed PubMed PubMed PubMed PubMed

Target Conservation


Protein: Beta-2 adrenergic receptor Description: Beta-2 adrenergic receptor Organism : Homo sapiens P07550 ENSG00000169252












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











Protein: Adrenergic receptor alpha-2 Description: Alpha-2A adrenergic receptor Organism : Homo sapiens P08913 ENSG00000150594










Protein: Adrenergic receptor alpha-2 Description: Alpha-2B adrenergic receptor Organism : Homo sapiens P18089 ENSG00000274286











Protein: Adrenergic receptor alpha-2 Description: Alpha-2C adrenergic receptor Organism : Homo sapiens P18825 ENSG00000184160

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
Croatia
Czech Republic
Germany
Romania
Serbia
Slovakia

Cross References

Resources	Reference
ChEBI	94461
ChEMBL	CHEMBL27810
DrugBank	DB04846
DrugCentral	569
FDA SRS	DRB57K47QC
Guide to Pharmacology	9064
PubChem	2663
SureChEMBL	SCHEMBL49415

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