EcoDrugPlus


Synonyms	Acebutolol C07AB04 Sectral
Status
Molecule Category	Free-form
ATC	C07AB04
UNII	67P356D8GH
EPA CompTox	DTXSID2048539


InChI Key	GOEMGAFJFRBGGG-UHFFFAOYSA-N
Smiles	CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
InChI	InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)

Property Name	Value
Molecular Formula	C18H28N2O4
Molecular Weight	336.43
AlogP	2.37
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	10.0
Polar Surface Area	87.66
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	24.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	40.9

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	40.9

Countries
Croatia
Czech Republic
Hungary
Romania
Serbia
Slovakia

Resources	Reference
ChEBI	2379
ChEMBL	CHEMBL642
DrugBank	DB01193
DrugCentral	40
FDA SRS	67P356D8GH
Human Metabolome Database	HMDB0015324
Guide to Pharmacology	7107
KEGG	C06803
PharmGKB	PA448011
PubChem	1978
SureChEMBL	SCHEMBL3772

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

ACEBUTOLOL

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Environmental Exposure

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