EcoDrugPlus


Trade Names	ALBUTEROL PROVENTIL VENTOLIN
Synonyms	Accuneb Aerolin Aerolin 400 Aerolin auto Airomir Airsalb Albuterol Asmasal clickhaler Asmasal spacehaler Asmaven Asmavent Cobutolin Combivent Combivent udvs Duoneb
Status
Molecule Category	Free-form
UNII	QF8SVZ843E
EPA CompTox	DTXSID5021255

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	NDAUXUAQIAJITI-UHFFFAOYSA-N
Smiles	CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
InChI	InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H21NO3
Molecular Weight	239.31
AlogP	1.31
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	72.72
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	17.0

Mechanism of Action	Action	Reference
Beta-2 adrenergic receptor agonist	AGONIST	FDA

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	0.454-268	17-980	109.65-520	510	-
Unclassified protein	-	-	-	-	80-96

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	0.454-268	17-18	109.65-245.47	-	-
Escherichia coli	-	-	-	-	80-96
Homo sapiens	25.12-251	980	220	510	-

Target Conservation


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

Cross References

Resources	Reference
ChEBI	2549
ChEMBL	CHEMBL714
DrugBank	DB01001
DrugCentral	105
FDA SRS	QF8SVZ843E
Human Metabolome Database	HMDB0001937
Guide to Pharmacology	558
PharmGKB	PA448068
PubChem	2083
SureChEMBL	SCHEMBL4913

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

ALBUTEROL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References