TIMOLOL

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Search structure


Trade Names	BETIMOL TIMOLOL
Synonyms	Betim Betimol Blocadren Glau-opt Glaucol Istalol Nyogel Timolol Timolol anhydrous Timolol hemihydrate Timoptic Timoptic-XE Tiopex
Status
Molecule Category	Free-form
ATC	C07AA06 S01ED01
UNII	817W3C6175
EPA CompTox	DTXSID70238611

Structure


InChI Key	BLJRIMJGRPQVNF-JTQLQIEISA-N
Smiles	CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
InChI	InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H24N4O3S
Molecular Weight	316.43
AlogP	0.5
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	79.74
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	21.0

Pharmacology

Mechanism of Action	Action	Reference
Beta-1 adrenergic receptor antagonist	ANTAGONIST	DailyMed
Beta-2 adrenergic receptor antagonist	ANTAGONIST	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	8
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	-	0.166-0.3631	0.2089-630.96	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	-	-	616.6	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	39

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	0.166-0.3631	-	8
Homo sapiens	-	-	-	0.2089-5.37	18.6-39
Rattus norvegicus	-	-	-	3.162-630.96	-

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

Cross References

Resources	Reference
CAS NUMBER	91524-16-2
ChEBI	9599
ChEMBL	CHEMBL499
DrugBank	DB00373
DrugCentral	4061
FDA SRS	817W3C6175
Guide to Pharmacology	565
KEGG	C07141
PDB	TIM
PharmGKB	PA451690
PubChem	62933
SureChEMBL	SCHEMBL4912
ZINC	ZINC000000002176

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, 27^th July 2026