TERTATOLOL

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Search structure


Synonyms	Artex Artexal Prenalex S-2395 SE-2395 Tertatolol Tertatolol hydrochloride
Status
Molecule Category	Free-form
ATC	C07AA16
UNII	9ZO341YQXP
EPA CompTox	DTXSID80865735

Structure


InChI Key	HTWFXPCUFWKXOP-UHFFFAOYSA-N
Smiles	CC(C)(C)NCC(O)COc1cccc2c1SCCC2
InChI	InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H25NO2S
Molecular Weight	295.45
AlogP	2.85
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	41.49
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	20.0

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 Serotonin receptor	-	-	-	7.71-37.6	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	-	-	18.2	-

Cross References

Resources	Reference
CAS NUMBER	83688-84-0
ChEBI	135244
ChEMBL	CHEMBL434200
DrugBank	DB13775
DrugCentral	2605
FDA SRS	9ZO341YQXP
Human Metabolome Database	HMDB0042026
Guide to Pharmacology	571
PubChem	36920
SureChEMBL	SCHEMBL49634

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026